3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazol-5-amine

C13H12N4O — CID 117353119

IUPAC3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazol-5-amine
SMILESCc1nccn1-c1ccc(-c2cc(N)on2)cc1
InChIInChI=1S/C13H12N4O/c1-9-15-6-7-17(9)11-4-2-10(3-5-11)12-8-13(14)18-16-12/h2-8H,14H2,1H3
InChIKeyBETBRKQYEGWYGH-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.42
Rot. Bonds2

About 3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazol-5-amine

3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117353119) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazol-5-amine
PubChem CID117353119
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazol-5-amine
SMILESCc1nccn1-c1ccc(-c2cc(N)on2)cc1
InChIInChI=1S/C13H12N4O/c1-9-15-6-7-17(9)11-4-2-10(3-5-11)12-8-13(14)18-16-12/h2-8H,14H2,1H3
InChIKeyBETBRKQYEGWYGH-UHFFFAOYSA-N
XLogP2.42
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine
CID 117388991
3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine
CID 117321318
3-(2,3-dimethylbenzimidazol-5-yl)-1,2-oxazol-5-amine
CID 117328763
1-methyl-3-[3-(2-methylimidazol-1-yl)phenyl]pyrazol-5-amine
CID 117386048
2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 63817285
3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117314495
O-[[4-(2-methylimidazol-1-yl)phenyl]methyl]hydroxylamine
CID 117291724
3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine
CID 117323198
1-(4-ethenylphenyl)-2-methylimidazole
CID 167585504
3-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117360432
3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine
CID 28603394
3-(4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82472062

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazol-5-amine (CID 117353119) is 3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazol-5-amine is Cc1nccn1-c1ccc(-c2cc(N)on2)cc1.
What is the InChIKey of 3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is BETBRKQYEGWYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9-15-6-7-17(9)11-4-2-10(3-5-11)12-8-13(14)18-16-12/h2-8H,14H2,1H3.
What are the key properties of 3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazol-5-amine?
3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 240.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117353119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).