[3-(4-methylphenyl)-1,2-oxazol-5-yl] N-methylcarbamate

C12H12N2O3 — CID 174638559

IUPAC[3-(4-methylphenyl)-1,2-oxazol-5-yl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(-c2ccc(C)cc2)no1
InChIInChI=1S/C12H12N2O3/c1-8-3-5-9(6-4-8)10-7-11(17-14-10)16-12(15)13-2/h3-7H,1-2H3,(H,13,15)
InChIKeyJHIILIRWVDTVDJ-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.37
Rot. Bonds2

About [3-(4-methylphenyl)-1,2-oxazol-5-yl] N-methylcarbamate

[3-(4-methylphenyl)-1,2-oxazol-5-yl] N-methylcarbamate (PubChem CID 174638559) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is [3-(4-methylphenyl)-1,2-oxazol-5-yl] N-methylcarbamate.

Molecular Properties

Compound Name[3-(4-methylphenyl)-1,2-oxazol-5-yl] N-methylcarbamate
PubChem CID174638559
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name[3-(4-methylphenyl)-1,2-oxazol-5-yl] N-methylcarbamate
SMILESCNC(=O)Oc1cc(-c2ccc(C)cc2)no1
InChIInChI=1S/C12H12N2O3/c1-8-3-5-9(6-4-8)10-7-11(17-14-10)16-12(15)13-2/h3-7H,1-2H3,(H,13,15)
InChIKeyJHIILIRWVDTVDJ-UHFFFAOYSA-N
XLogP2.37
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
CID 776547
3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide
CID 47269641
[3-(4-carbamimidoylphenyl)-1,2-oxazol-5-yl] propanoate;hydrochloride
CID 70209075
(2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid
CID 104876274
(3-phenyl-1,2-oxazol-5-yl) 3-methoxybenzoate
CID 1474661
3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylamino]propanoic acid
CID 43466304
3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
CID 119212192
(3,5-dimethylphenyl) N-methylcarbamate
CID 17563
2,5-dimethyl-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]furan-3-carboxamide
CID 9467401
N-(4-methylcyclohexyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427023
2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid
CID 119237689
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427832

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)-1,2-oxazol-5-yl] N-methylcarbamate?
The IUPAC name of [3-(4-methylphenyl)-1,2-oxazol-5-yl] N-methylcarbamate (CID 174638559) is [3-(4-methylphenyl)-1,2-oxazol-5-yl] N-methylcarbamate.
What is the SMILES notation for [3-(4-methylphenyl)-1,2-oxazol-5-yl] N-methylcarbamate?
The canonical SMILES for [3-(4-methylphenyl)-1,2-oxazol-5-yl] N-methylcarbamate is CNC(=O)Oc1cc(-c2ccc(C)cc2)no1.
What is the InChIKey of [3-(4-methylphenyl)-1,2-oxazol-5-yl] N-methylcarbamate?
The InChIKey is JHIILIRWVDTVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-3-5-9(6-4-8)10-7-11(17-14-10)16-12(15)13-2/h3-7H,1-2H3,(H,13,15).
What are the key properties of [3-(4-methylphenyl)-1,2-oxazol-5-yl] N-methylcarbamate?
[3-(4-methylphenyl)-1,2-oxazol-5-yl] N-methylcarbamate has a molecular weight of 232.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)-1,2-oxazol-5-yl] N-methylcarbamate is sourced from PubChem (CID 174638559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).