N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline

C11H12N2O — CID 82468640

IUPACN-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline
SMILESCNc1cccc(-c2nc(C)co2)c1
InChIInChI=1S/C11H12N2O/c1-8-7-14-11(13-8)9-4-3-5-10(6-9)12-2/h3-7,12H,1-2H3
InChIKeyWMWMRZLXQLMXBE-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.69
Rot. Bonds2

About N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline

N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline (PubChem CID 82468640) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline.

Molecular Properties

Compound NameN-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline
PubChem CID82468640
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline
SMILESCNc1cccc(-c2nc(C)co2)c1
InChIInChI=1S/C11H12N2O/c1-8-7-14-11(13-8)9-4-3-5-10(6-9)12-2/h3-7,12H,1-2H3
InChIKeyWMWMRZLXQLMXBE-UHFFFAOYSA-N
XLogP2.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120550999
1-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanone
CID 115022186
3-hydroxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3-phenylbutanamide
CID 110025780
2-methyl-3-[methyl-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122086674
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71853136
3-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119808886
4-methoxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide
CID 119808907
(2S,4S)-2-methyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120636893
(2S)-2-amino-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119337943
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119337937
(1S,5S,6R)-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 99851894
4-(2-amino-2-oxoethyl)sulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 136514551

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline?
The IUPAC name of N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline (CID 82468640) is N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline.
What is the SMILES notation for N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline?
The canonical SMILES for N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline is CNc1cccc(-c2nc(C)co2)c1.
What is the InChIKey of N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline?
The InChIKey is WMWMRZLXQLMXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-7-14-11(13-8)9-4-3-5-10(6-9)12-2/h3-7,12H,1-2H3.
What are the key properties of N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline?
N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline has a molecular weight of 188.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methyl-1,3-oxazol-2-yl)aniline is sourced from PubChem (CID 82468640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).