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

C13H18N2O — CID 117311370

IUPAC2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-amine
SMILESCC1COC(c2ccc(C(C)(C)N)cc2)=N1
InChIInChI=1S/C13H18N2O/c1-9-8-16-12(15-9)10-4-6-11(7-5-10)13(2,3)14/h4-7,9H,8,14H2,1-3H3
InChIKeyJNNZIJFXMGFDNW-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.05
Rot. Bonds2

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

2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-amine (PubChem CID 117311370) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-amine
PubChem CID117311370
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-amine
SMILESCC1COC(c2ccc(C(C)(C)N)cc2)=N1
InChIInChI=1S/C13H18N2O/c1-9-8-16-12(15-9)10-4-6-11(7-5-10)13(2,3)14/h4-7,9H,8,14H2,1-3H3
InChIKeyJNNZIJFXMGFDNW-UHFFFAOYSA-N
XLogP2.05
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-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-fluorophenyl)-4-methyl-4,5-dihydro-1,3-oxazole
CID 22006286
1-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclopropan-1-ol
CID 117309438
(4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 154718154
(4S)-2-[3,5-bis[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2,4,6-tris(4-methylphenyl)phenyl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 102331832
(4R)-2-[3,5-bis[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-2,4,6-tris(4-methylphenyl)phenyl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 101364196
3-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propanal
CID 117309392
3-amino-3-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propanoic acid
CID 117373607
4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 175669898
(4R)-4-methyl-2-[2,4,5-tris[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 102128598
4-methyl-2-[4-(pyrrolidin-2-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 117363098
3-cyclopropyl-3-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propanoic acid
CID 117435830
3-[2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
CID 115061053

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-amine?
The IUPAC name of 2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-amine (CID 117311370) is 2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-amine?
The canonical SMILES for 2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-amine is CC1COC(c2ccc(C(C)(C)N)cc2)=N1.
What is the InChIKey of 2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-amine?
The InChIKey is JNNZIJFXMGFDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-8-16-12(15-9)10-4-6-11(7-5-10)13(2,3)14/h4-7,9H,8,14H2,1-3H3.
What are the key properties of 2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-amine?
2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-amine has a molecular weight of 218.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-amine is sourced from PubChem (CID 117311370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).