N-(4-chloro-3-methylphenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine

C19H14ClN5O2 — CID 58624217

IUPACN-(4-chloro-3-methylphenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1cc(Nc2nnc(-c3ccc(Oc4cncnc4)cc3)o2)ccc1Cl
InChIInChI=1S/C19H14ClN5O2/c1-12-8-14(4-7-17(12)20)23-19-25-24-18(27-19)13-2-5-15(6-3-13)26-16-9-21-11-22-10-16/h2-11H,1H3,(H,23,25)
InChIKeyUMTAWIMPYLQJDR-UHFFFAOYSA-N
MW379.81 g/mol
LogP5.02
Rot. Bonds5

About N-(4-chloro-3-methylphenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine

N-(4-chloro-3-methylphenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 58624217) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID58624217
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC NameN-(4-chloro-3-methylphenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1cc(Nc2nnc(-c3ccc(Oc4cncnc4)cc3)o2)ccc1Cl
InChIInChI=1S/C19H14ClN5O2/c1-12-8-14(4-7-17(12)20)23-19-25-24-18(27-19)13-2-5-15(6-3-13)26-16-9-21-11-22-10-16/h2-11H,1H3,(H,23,25)
InChIKeyUMTAWIMPYLQJDR-UHFFFAOYSA-N
XLogP5.02
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.81
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-4-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 11546524
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyridin-3-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 11640599
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 11662010
4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11663171
5-[4-(Pyrimidin-5-yloxy)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 11689838
6-[4-[5-[4-Chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]pyrimidine-2,4-diamine
CID 11691201
5-[4-(2-chloropyridin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 53476402
5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 53477436
5-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 53477437
6-(4-{5-[(2-Chloro-5-trifluoromethyl-phenyl)amino]-1,3,4-oxadiazol-2-yl}phenoxy)pyrimidine-2,4-diamine
CID 59135360
5-(4-pyridin-3-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 59135410
5-[4-(Pyrimidin-5-yloxy)phenyl]-N-[2-chloro-5-(trifluoromethyl)-phenyl]-1,3,4-oxadiazol-2-amine
CID 59135413

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4-chloro-3-methylphenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine (CID 58624217) is N-(4-chloro-3-methylphenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine is Cc1cc(Nc2nnc(-c3ccc(Oc4cncnc4)cc3)o2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is UMTAWIMPYLQJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c1-12-8-14(4-7-17(12)20)23-19-25-24-18(27-19)13-2-5-15(6-3-13)26-16-9-21-11-22-10-16/h2-11H,1H3,(H,23,25).
What are the key properties of N-(4-chloro-3-methylphenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine?
N-(4-chloro-3-methylphenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 379.81 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-5-(4-pyrimidin-5-yloxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 58624217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).