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

C16H14ClN3O3 — CID 91681619

IUPAC5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(N)o2)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O3/c1-21-13-7-4-11(15-19-20-16(18)23-15)8-14(13)22-9-10-2-5-12(17)6-3-10/h2-8H,9H2,1H3,(H2,18,20)
InChIKeyKSSCJSDINAAVNX-UHFFFAOYSA-N
MW331.76 g/mol
LogP3.56
Rot. Bonds5

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

5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 91681619) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is 5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
PubChem CID91681619
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc(-c2nnc(N)o2)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O3/c1-21-13-7-4-11(15-19-20-16(18)23-15)8-14(13)22-9-10-2-5-12(17)6-3-10/h2-8H,9H2,1H3,(H2,18,20)
InChIKeyKSSCJSDINAAVNX-UHFFFAOYSA-N
XLogP3.56
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91682846
5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681821
5-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681816
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
2-(chloromethyl)-5-(3-methoxy-4-phenylmethoxyphenyl)-1,3,4-oxadiazole
CID 46944561
5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 82479864
2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline
CID 83008379
5-[3-bromo-5-chloro-4-[(4-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91686187
6-chloro-4-[4-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]quinazolin-2-amine
CID 67198127
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 55672083

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine (CID 91681619) is 5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine is COc1ccc(-c2nnc(N)o2)cc1OCc1ccc(Cl)cc1.
What is the InChIKey of 5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is KSSCJSDINAAVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c1-21-13-7-4-11(15-19-20-16(18)23-15)8-14(13)22-9-10-2-5-12(17)6-3-10/h2-8H,9H2,1H3,(H2,18,20).
What are the key properties of 5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine?
5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 331.76 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 91681619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).