3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine

C13H16N2O — CID 5100398

IUPAC3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCCC(C)c1ccc(-c2cc(N)on2)cc1
InChIInChI=1S/C13H16N2O/c1-3-9(2)10-4-6-11(7-5-10)12-8-13(14)16-15-12/h4-9H,3,14H2,1-2H3
InChIKeyKVLKXSSUBCIHAV-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.44
Rot. Bonds3

About 3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine

3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine (PubChem CID 5100398) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine
PubChem CID5100398
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCCC(C)c1ccc(-c2cc(N)on2)cc1
InChIInChI=1S/C13H16N2O/c1-3-9(2)10-4-6-11(7-5-10)12-8-13(14)16-15-12/h4-9H,3,14H2,1-2H3
InChIKeyKVLKXSSUBCIHAV-UHFFFAOYSA-N
XLogP3.44
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-butan-2-ylphenyl)-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

3-(4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82472062
4-(4-butan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82293127
3-(3-fluoro-4-pentan-3-ylphenyl)-1,2-oxazol-5-amine
CID 117373692
4-(4-butan-2-ylphenyl)-1,2,5-oxadiazol-3-amine
CID 82113932
3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine
CID 117321318
3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine
CID 28603394
2,4,6-tris(4-butan-2-ylphenyl)-1,3,5-triazine
CID 58250690
3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117336518
3-phenyl-1,2-oxazol-5-amine;1H-pyrrole
CID 159562874
2-[3,5-bis[5-(4-butan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-butan-2-ylphenyl)-1,3,4-oxadiazole
CID 59882736
3-(3-chloro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117345808
3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117314495

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine (CID 5100398) is 3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine is CCC(C)c1ccc(-c2cc(N)on2)cc1.
What is the InChIKey of 3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine?
The InChIKey is KVLKXSSUBCIHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-9(2)10-4-6-11(7-5-10)12-8-13(14)16-15-12/h4-9H,3,14H2,1-2H3.
What are the key properties of 3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine?
3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine has a molecular weight of 216.28 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 5100398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).