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

C14H18N2O — CID 115084149

IUPAC3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine
SMILESCc1ccc(Cc2nc(CCCN)co2)cc1
InChIInChI=1S/C14H18N2O/c1-11-4-6-12(7-5-11)9-14-16-13(10-17-14)3-2-8-15/h4-7,10H,2-3,8-9,15H2,1H3
InChIKeyGNHLHSGUQYAWIU-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.47
Rot. Bonds5

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

3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine (PubChem CID 115084149) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine
PubChem CID115084149
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine
SMILESCc1ccc(Cc2nc(CCCN)co2)cc1
InChIInChI=1S/C14H18N2O/c1-11-4-6-12(7-5-11)9-14-16-13(10-17-14)3-2-8-15/h4-7,10H,2-3,8-9,15H2,1H3
InChIKeyGNHLHSGUQYAWIU-UHFFFAOYSA-N
XLogP2.47
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115084153
3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084172
2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084128
3-(2-propyl-1,3-oxazol-4-yl)propan-1-amine
CID 115084229
2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]acetic acid
CID 115084165
2-[2-[(4-bromophenyl)methyl]-1,3-oxazol-4-yl]ethanol
CID 115084055
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 25324136
2-[2-(fluoromethyl)-1,3-oxazol-4-yl]ethanamine
CID 84762826
N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084120
4-[(4-methyl-1,3-oxazol-2-yl)methyl]aniline
CID 69207076
1-[4-[(4-methylphenyl)methyl]-1,3-oxazol-2-yl]ethanamine
CID 115029662
[4-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine
CID 115024489

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine (CID 115084149) is 3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine is Cc1ccc(Cc2nc(CCCN)co2)cc1.
What is the InChIKey of 3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine?
The InChIKey is GNHLHSGUQYAWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-4-6-12(7-5-11)9-14-16-13(10-17-14)3-2-8-15/h4-7,10H,2-3,8-9,15H2,1H3.
What are the key properties of 3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine?
3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine is sourced from PubChem (CID 115084149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).