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

C12H14N2O — CID 174436270

IUPACN,N,4-trimethyl-2-(1,2-oxazol-3-yl)aniline
SMILESCc1ccc(N(C)C)c(-c2ccon2)c1
InChIInChI=1S/C12H14N2O/c1-9-4-5-12(14(2)3)10(8-9)11-6-7-15-13-11/h4-8H,1-3H3
InChIKeyDQSODYYXQIJDSS-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.72
Rot. Bonds2

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

N,N,4-trimethyl-2-(1,2-oxazol-3-yl)aniline (PubChem CID 174436270) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N,N,4-trimethyl-2-(1,2-oxazol-3-yl)aniline.

Molecular Properties

Compound NameN,N,4-trimethyl-2-(1,2-oxazol-3-yl)aniline
PubChem CID174436270
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN,N,4-trimethyl-2-(1,2-oxazol-3-yl)aniline
SMILESCc1ccc(N(C)C)c(-c2ccon2)c1
InChIInChI=1S/C12H14N2O/c1-9-4-5-12(14(2)3)10(8-9)11-6-7-15-13-11/h4-8H,1-3H3
InChIKeyDQSODYYXQIJDSS-UHFFFAOYSA-N
XLogP2.72
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)-5-methylphenyl]-1,2-oxazol-5-amine
CID 117309650
3-[5-methyl-2-(trifluoromethyl)phenyl]-1,2-oxazole
CID 174420328
4,5-dimethyl-2-(1,2-oxazol-3-yl)benzaldehyde
CID 140507772
2-chloro-N,N,4-trimethylaniline
CID 4099980
N,N,2-trimethyl-4-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 90144970
2-[5,6-bis(dimethylamino)-2-pyridinyl]-4-methylbenzonitrile
CID 123987139
2-fluoro-N,N,5-trimethylaniline
CID 118521335
[2-(dimethylamino)-5-methylphenyl]-tris(trimethylsilyl)silylmethanol
CID 12038103
5-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione
CID 172751963
2-(2,5-dimethylphenyl)-N,N-dimethyl-1,3-benzothiazol-5-amine
CID 155931684
3-(2,3,4-trifluorophenyl)-1,2-oxazole
CID 154291335
5-methyl-3-(1,2-oxazol-3-yl)-1,2,4-oxadiazole
CID 131172474

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-(1,2-oxazol-3-yl)aniline?
The IUPAC name of N,N,4-trimethyl-2-(1,2-oxazol-3-yl)aniline (CID 174436270) is N,N,4-trimethyl-2-(1,2-oxazol-3-yl)aniline.
What is the SMILES notation for N,N,4-trimethyl-2-(1,2-oxazol-3-yl)aniline?
The canonical SMILES for N,N,4-trimethyl-2-(1,2-oxazol-3-yl)aniline is Cc1ccc(N(C)C)c(-c2ccon2)c1.
What is the InChIKey of N,N,4-trimethyl-2-(1,2-oxazol-3-yl)aniline?
The InChIKey is DQSODYYXQIJDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-4-5-12(14(2)3)10(8-9)11-6-7-15-13-11/h4-8H,1-3H3.
What are the key properties of N,N,4-trimethyl-2-(1,2-oxazol-3-yl)aniline?
N,N,4-trimethyl-2-(1,2-oxazol-3-yl)aniline has a molecular weight of 202.26 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-(1,2-oxazol-3-yl)aniline is sourced from PubChem (CID 174436270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).