5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine

C16H13Cl2N3O3 — CID 91682846

IUPAC5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(N)o2)cc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2N3O3/c1-22-13-5-3-10(15-20-21-16(19)24-15)7-14(13)23-8-9-2-4-11(17)12(18)6-9/h2-7H,8H2,1H3,(H2,19,21)
InChIKeyKTTUOLLLTJKNFO-UHFFFAOYSA-N
MW366.20 g/mol
LogP4.21
Rot. Bonds5

About 5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine

5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 91682846) has the molecular formula C16H13Cl2N3O3 and a molecular weight of 366.20 g/mol. Its IUPAC name is 5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
PubChem CID91682846
Molecular FormulaC16H13Cl2N3O3
Molecular Weight366.20 g/mol
Exact Mass365.03
IUPAC Name5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(N)o2)cc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2N3O3/c1-22-13-5-3-10(15-20-21-16(19)24-15)7-14(13)23-8-9-2-4-11(17)12(18)6-9/h2-7H,8H2,1H3,(H2,19,21)
InChIKeyKTTUOLLLTJKNFO-UHFFFAOYSA-N
XLogP4.21
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91681619
5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681821
5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91683263
5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681973
5-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91681818
[5-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-yl]hydrazine
CID 91681625
5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 82479864
4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 6458100
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464
5-[4-[(2-chlorophenyl)methoxy]-3-iodophenyl]-1,3,4-oxadiazol-2-amine
CID 91681993
5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681816
5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91686187

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine (CID 91682846) is 5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine is COc1ccc(-c2nnc(N)o2)cc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is KTTUOLLLTJKNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3/c1-22-13-5-3-10(15-20-21-16(19)24-15)7-14(13)23-8-9-2-4-11(17)12(18)6-9/h2-7H,8H2,1H3,(H2,19,21).
What are the key properties of 5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine?
5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 366.20 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 91682846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).