6-[4-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(4-chlorophenyl)-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

Name: 6-[4-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(4-chlorophenyl)-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C75H52Cl3F3N20O8 — CID 161403603

IUPAC6-[4-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(4-chlorophenyl)-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

SMILESClc1ccc(Nc2nnc(-c3ccc(Oc4cccnc4)cc3)o2)cc1.Clc1cccc(Nc2nnc(-c3ccc(Oc4cncnc4)cc3)o2)c1.FC(F)(F)c1cccc(Nc2nnc(-c3ccc(Oc4cccnc4)cc3)o2)c1.Nc1cc(Oc2ccc(-c3nnc(Nc4cccc(Cl)c4)o3)cc2)nc(N)n1

InChIInChI=1S/C20H13F3N4O2.C19H13ClN4O2.C18H14ClN7O2.C18H12ClN5O2/c21-20(22,23)14-3-1-4-15(11-14)25-19-27-26-18(29-19)13-6-8-16(9-7-13)28-17-5-2-10-24-12-17;20-14-5-7-15(8-6-14)22-19-24-23-18(26-19)13-3-9-16(10-4-13)25-17-2-1-11-21-12-17;19-11-2-1-3-12(8-11)22-18-26-25-16(28-18)10-4-6-13(7-5-10)27-15-9-14(20)23-17(21)24-15;19-13-2-1-3-14(8-13)22-18-24-23-17(26-18)12-4-6-15(7-5-12)25-16-9-20-11-21-10-16/h1-12H,(H,25,27);1-12H,(H,22,24);1-9H,(H,22,26)(H4,20,21,23,24);1-11H,(H,22,24)

InChIKeyVUNYLAMEKMEIIG-UHFFFAOYSA-N

MW1524.73 g/mol

LogP19.60

Rot. Bonds20

About 6-[4-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(4-chlorophenyl)-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

6-[4-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(4-chlorophenyl)-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 161403603) has the molecular formula C75H52Cl3F3N20O8 and a molecular weight of 1524.73 g/mol. Its IUPAC name is 6-[4-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(4-chlorophenyl)-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name	6-[4-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(4-chlorophenyl)-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID	161403603
Molecular Formula	C75H52Cl3F3N20O8
Molecular Weight	1524.73 g/mol
Exact Mass	1522.33
IUPAC Name	6-[4-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(4-chlorophenyl)-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILES	Clc1ccc(Nc2nnc(-c3ccc(Oc4cccnc4)cc3)o2)cc1.Clc1cccc(Nc2nnc(-c3ccc(Oc4cncnc4)cc3)o2)c1.FC(F)(F)c1cccc(Nc2nnc(-c3ccc(Oc4cccnc4)cc3)o2)c1.Nc1cc(Oc2ccc(-c3nnc(Nc4cccc(Cl)c4)o3)cc2)nc(N)n1
InChI	InChI=1S/C20H13F3N4O2.C19H13ClN4O2.C18H14ClN7O2.C18H12ClN5O2/c21-20(22,23)14-3-1-4-15(11-14)25-19-27-26-18(29-19)13-6-8-16(9-7-13)28-17-5-2-10-24-12-17;20-14-5-7-15(8-6-14)22-19-24-23-18(26-19)13-3-9-16(10-4-13)25-17-2-1-11-21-12-17;19-11-2-1-3-12(8-11)22-18-26-25-16(28-18)10-4-6-13(7-5-10)27-15-9-14(20)23-17(21)24-15;19-13-2-1-3-14(8-13)22-18-24-23-17(26-18)12-4-6-15(7-5-12)25-16-9-20-11-21-10-16/h1-12H,(H,25,27);1-12H,(H,22,24);1-9H,(H,22,26)(H4,20,21,23,24);1-11H,(H,22,24)
InChIKey	VUNYLAMEKMEIIG-UHFFFAOYSA-N
XLogP	19.60
TPSA	370.10 Å²
H-Bond Donors	6
H-Bond Acceptors	28
Rotatable Bonds	20
Heavy Atoms	109
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1524.73
LogP ≤ 5	19.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Analyze 6-[4-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(4-chlorophenyl)-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(4-chlorophenyl)-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?

The IUPAC name of 6-[4-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(4-chlorophenyl)-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (CID 161403603) is 6-[4-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(4-chlorophenyl)-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.

What is the SMILES notation for 6-[4-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(4-chlorophenyl)-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?

The canonical SMILES for 6-[4-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(4-chlorophenyl)-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is Clc1ccc(Nc2nnc(-c3ccc(Oc4cccnc4)cc3)o2)cc1.Clc1cccc(Nc2nnc(-c3ccc(Oc4cncnc4)cc3)o2)c1.FC(F)(F)c1cccc(Nc2nnc(-c3ccc(Oc4cccnc4)cc3)o2)c1.Nc1cc(Oc2ccc(-c3nnc(Nc4cccc(Cl)c4)o3)cc2)nc(N)n1.

What is the InChIKey of 6-[4-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(4-chlorophenyl)-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?

The InChIKey is VUNYLAMEKMEIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O2.C19H13ClN4O2.C18H14ClN7O2.C18H12ClN5O2/c21-20(22,23)14-3-1-4-15(11-14)25-19-27-26-18(29-19)13-6-8-16(9-7-13)28-17-5-2-10-24-12-17;20-14-5-7-15(8-6-14)22-19-24-23-18(26-19)13-3-9-16(10-4-13)25-17-2-1-11-21-12-17;19-11-2-1-3-12(8-11)22-18-26-25-16(28-18)10-4-6-13(7-5-10)27-15-9-14(20)23-17(21)24-15;19-13-2-1-3-14(8-13)22-18-24-23-17(26-18)12-4-6-15(7-5-12)25-16-9-20-11-21-10-16/h1-12H,(H,25,27);1-12H,(H,22,24);1-9H,(H,22,26)(H4,20,21,23,24);1-11H,(H,22,24).

What are the key properties of 6-[4-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(4-chlorophenyl)-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?

Where does this data come from?

All data for 6-[4-[5-(3-chloroanilino)-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine;N-(4-chlorophenyl)-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine;N-(3-chlorophenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine;5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 161403603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).