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

C14H14N4O — CID 117388991

IUPAC3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine
SMILESCn1ccnc1Cc1ccc(-c2cc(N)on2)cc1
InChIInChI=1S/C14H14N4O/c1-18-7-6-16-14(18)8-10-2-4-11(5-3-10)12-9-13(15)19-17-12/h2-7,9H,8,15H2,1H3
InChIKeySDIUKLCPDHSASR-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.25
Rot. Bonds3

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

3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine (PubChem CID 117388991) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine
PubChem CID117388991
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine
SMILESCn1ccnc1Cc1ccc(-c2cc(N)on2)cc1
InChIInChI=1S/C14H14N4O/c1-18-7-6-16-14(18)8-10-2-4-11(5-3-10)12-9-13(15)19-17-12/h2-7,9H,8,15H2,1H3
InChIKeySDIUKLCPDHSASR-UHFFFAOYSA-N
XLogP2.25
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chlorophenyl)methyl]-1-methylimidazole
CID 143713939
2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole
CID 82561964
[4-[(1-methylimidazol-2-yl)methyl]phenyl]methanesulfonyl chloride
CID 117458507
1-[4-[(1-methylimidazol-2-yl)methyl]phenyl]propan-1-one
CID 79737632
3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]propanoic acid
CID 117362604
1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]ethanamine
CID 82783395
3-amino-2-[4-[(1-methylimidazol-2-yl)methyl]phenyl]propanoic acid
CID 117402110
3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine
CID 117321318
3-(3-chloro-4-pyrazol-1-ylphenyl)-1,2-oxazol-5-amine
CID 117406065
3-[[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]aniline
CID 82558685
2-[2-(4-bromophenyl)ethyl]-1-methylimidazole
CID 82486543
5-[(1-methylimidazol-2-yl)methyl]pyridin-3-ol
CID 83130464

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine (CID 117388991) is 3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine is Cn1ccnc1Cc1ccc(-c2cc(N)on2)cc1.
What is the InChIKey of 3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine?
The InChIKey is SDIUKLCPDHSASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-18-7-6-16-14(18)8-10-2-4-11(5-3-10)12-9-13(15)19-17-12/h2-7,9H,8,15H2,1H3.
What are the key properties of 3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine?
3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine has a molecular weight of 254.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-methylimidazol-2-yl)methyl]phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117388991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).