2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxyphenyl)propanenitrile

C15H16N2O2 — CID 82141132

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxyphenyl)propanenitrile
SMILESCOc1cccc(CC(C#N)c2c(C)noc2C)c1
InChIInChI=1S/C15H16N2O2/c1-10-15(11(2)19-17-10)13(9-16)7-12-5-4-6-14(8-12)18-3/h4-6,8,13H,7H2,1-3H3
InChIKeyPCTRVIWIKMVWPO-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.15
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxyphenyl)propanenitrile

2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxyphenyl)propanenitrile (PubChem CID 82141132) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxyphenyl)propanenitrile.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxyphenyl)propanenitrile
PubChem CID82141132
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxyphenyl)propanenitrile
SMILESCOc1cccc(CC(C#N)c2c(C)noc2C)c1
InChIInChI=1S/C15H16N2O2/c1-10-15(11(2)19-17-10)13(9-16)7-12-5-4-6-14(8-12)18-3/h4-6,8,13H,7H2,1-3H3
InChIKeyPCTRVIWIKMVWPO-UHFFFAOYSA-N
XLogP3.15
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3387315
5-[1-cyano-2-(3-methoxyphenyl)ethyl]furan-2-carboxylic acid
CID 82141134
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 95977617
4-[1-cyano-2-(3-methoxyphenyl)ethyl]benzoic acid
CID 82141126
2-(dimethylamino)-3-(3-methoxyphenyl)propanenitrile
CID 82076974
3-hydroxy-4-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524109
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 52793571
2-cyano-3-(3-methoxyphenyl)-N,N-dimethylpropanamide
CID 82115986
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 7016183
2-(3-methoxyphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43110626

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxyphenyl)propanenitrile?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxyphenyl)propanenitrile (CID 82141132) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxyphenyl)propanenitrile.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxyphenyl)propanenitrile?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxyphenyl)propanenitrile is COc1cccc(CC(C#N)c2c(C)noc2C)c1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxyphenyl)propanenitrile?
The InChIKey is PCTRVIWIKMVWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-15(11(2)19-17-10)13(9-16)7-12-5-4-6-14(8-12)18-3/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxyphenyl)propanenitrile?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxyphenyl)propanenitrile has a molecular weight of 256.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methoxyphenyl)propanenitrile is sourced from PubChem (CID 82141132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).