4-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile

C18H15N3O2 — CID 166339062

IUPAC4-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile
SMILESCOc1cccc(-c2nc(CNc3ccc(C#N)cc3)co2)c1
InChIInChI=1S/C18H15N3O2/c1-22-17-4-2-3-14(9-17)18-21-16(12-23-18)11-20-15-7-5-13(10-19)6-8-15/h2-9,12,20H,11H2,1H3
InChIKeyODDIZNYNDSEEGQ-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.83
Rot. Bonds5

About 4-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile

4-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile (PubChem CID 166339062) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile.

Molecular Properties

Compound Name4-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile
PubChem CID166339062
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name4-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile
SMILESCOc1cccc(-c2nc(CNc3ccc(C#N)cc3)co2)c1
InChIInChI=1S/C18H15N3O2/c1-22-17-4-2-3-14(9-17)18-21-16(12-23-18)11-20-15-7-5-13(10-19)6-8-15/h2-9,12,20H,11H2,1H3
InChIKeyODDIZNYNDSEEGQ-UHFFFAOYSA-N
XLogP3.83
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-(3-methoxyphenyl)-1,3-oxazole
CID 22352547
4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline
CID 56672873
N-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288587
4-(iodomethyl)-2-(3-methoxyphenyl)-1,3-oxazole
CID 57434521
3-[4-[(tert-butylamino)methyl]-1,3-oxazol-2-yl]benzonitrile
CID 65287867
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenoxyaniline
CID 56682804
N-(4-cyanophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392024
4-[4-(ethylaminomethyl)-1,3-oxazol-2-yl]benzonitrile
CID 65288463
N-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 56665294
4-tert-butyl-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652825
tert-butyl N-[4-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]phenyl]carbamate
CID 59262979
4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
CID 23539990

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile?
The IUPAC name of 4-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile (CID 166339062) is 4-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile.
What is the SMILES notation for 4-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile?
The canonical SMILES for 4-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile is COc1cccc(-c2nc(CNc3ccc(C#N)cc3)co2)c1.
What is the InChIKey of 4-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile?
The InChIKey is ODDIZNYNDSEEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-22-17-4-2-3-14(9-17)18-21-16(12-23-18)11-20-15-7-5-13(10-19)6-8-15/h2-9,12,20H,11H2,1H3.
What are the key properties of 4-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile?
4-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile has a molecular weight of 305.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile is sourced from PubChem (CID 166339062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).