1-[2-[(5-methyl-1,2-oxazol-4-yl)amino]phenyl]ethanone

C12H12N2O2 — CID 115029518

IUPAC1-[2-[(5-methyl-1,2-oxazol-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1Nc1cnoc1C
InChIInChI=1S/C12H12N2O2/c1-8(15)10-5-3-4-6-11(10)14-12-7-13-16-9(12)2/h3-7,14H,1-2H3
InChIKeySZUMZJVJOCHHGV-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.93
Rot. Bonds3

About 1-[2-[(5-methyl-1,2-oxazol-4-yl)amino]phenyl]ethanone

1-[2-[(5-methyl-1,2-oxazol-4-yl)amino]phenyl]ethanone (PubChem CID 115029518) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-[2-[(5-methyl-1,2-oxazol-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(5-methyl-1,2-oxazol-4-yl)amino]phenyl]ethanone
PubChem CID115029518
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-[2-[(5-methyl-1,2-oxazol-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccccc1Nc1cnoc1C
InChIInChI=1S/C12H12N2O2/c1-8(15)10-5-3-4-6-11(10)14-12-7-13-16-9(12)2/h3-7,14H,1-2H3
InChIKeySZUMZJVJOCHHGV-UHFFFAOYSA-N
XLogP2.93
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(pyridin-4-ylamino)phenyl]ethanone
CID 82536637
1-[2-(2-ethynylanilino)phenyl]ethanone
CID 155291748
5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 850304
N-(2-ethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850891
N-[4-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine
CID 115022984
1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone
CID 58063079
(2-fluorophenyl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 82282946
N-(5-methyl-1,2-oxazol-4-yl)propanamide
CID 13483365
N-[2-(bromomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 114309588
N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998634
N-(2-acetylphenyl)-2H-triazole-4-carboxamide
CID 78969669
ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane
CID 91575161

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methyl-1,2-oxazol-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-[(5-methyl-1,2-oxazol-4-yl)amino]phenyl]ethanone (CID 115029518) is 1-[2-[(5-methyl-1,2-oxazol-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(5-methyl-1,2-oxazol-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-[(5-methyl-1,2-oxazol-4-yl)amino]phenyl]ethanone is CC(=O)c1ccccc1Nc1cnoc1C.
What is the InChIKey of 1-[2-[(5-methyl-1,2-oxazol-4-yl)amino]phenyl]ethanone?
The InChIKey is SZUMZJVJOCHHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8(15)10-5-3-4-6-11(10)14-12-7-13-16-9(12)2/h3-7,14H,1-2H3.
What are the key properties of 1-[2-[(5-methyl-1,2-oxazol-4-yl)amino]phenyl]ethanone?
1-[2-[(5-methyl-1,2-oxazol-4-yl)amino]phenyl]ethanone has a molecular weight of 216.24 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methyl-1,2-oxazol-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 115029518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).