3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine

C13H18N2O — CID 115060983

IUPAC3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
SMILESCc1cccc(C2=NC(CCCN)CO2)c1
InChIInChI=1S/C13H18N2O/c1-10-4-2-5-11(8-10)13-15-12(9-16-13)6-3-7-14/h2,4-5,8,12H,3,6-7,9,14H2,1H3
InChIKeyVAOOKTZAISGONL-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.88
Rot. Bonds4

About 3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine

3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine (PubChem CID 115060983) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
PubChem CID115060983
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
SMILESCc1cccc(C2=NC(CCCN)CO2)c1
InChIInChI=1S/C13H18N2O/c1-10-4-2-5-11(8-10)13-15-12(9-16-13)6-3-7-14/h2,4-5,8,12H,3,6-7,9,14H2,1H3
InChIKeyVAOOKTZAISGONL-UHFFFAOYSA-N
XLogP1.88
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-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-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]methanamine
CID 115060967
3-[2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115060985
3-[2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115060988
4-[4-(3-aminopropyl)-4,5-dihydro-1,3-oxazol-2-yl]phenol
CID 136982327
3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115061055
3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115061053
4-(4-methylphenyl)-2-[3-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 67533219
2-[3-(3-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine
CID 105456448
3-(2-benzyl-4,5-dihydro-1,3-oxazol-4-yl)propan-1-amine
CID 115061130
3-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde
CID 174694960
3-(3-methylphenyl)-5,6-dihydro-1,4,2-dioxazine
CID 20698390
[2-(3-methylphenyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methanamine
CID 115066286

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine (CID 115060983) is 3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine is Cc1cccc(C2=NC(CCCN)CO2)c1.
What is the InChIKey of 3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
The InChIKey is VAOOKTZAISGONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-4-2-5-11(8-10)13-15-12(9-16-13)6-3-7-14/h2,4-5,8,12H,3,6-7,9,14H2,1H3.
What are the key properties of 3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine has a molecular weight of 218.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylphenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine is sourced from PubChem (CID 115060983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).