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

C13H16N2O — CID 115029662

IUPAC1-[4-[(4-methylphenyl)methyl]-1,3-oxazol-2-yl]ethanamine
SMILESCc1ccc(Cc2coc(C(C)N)n2)cc1
InChIInChI=1S/C13H16N2O/c1-9-3-5-11(6-4-9)7-12-8-16-13(15-12)10(2)14/h3-6,8,10H,7,14H2,1-2H3
InChIKeyAJOFTYQYGBFLFT-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.59
Rot. Bonds3

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

1-[4-[(4-methylphenyl)methyl]-1,3-oxazol-2-yl]ethanamine (PubChem CID 115029662) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[4-[(4-methylphenyl)methyl]-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[(4-methylphenyl)methyl]-1,3-oxazol-2-yl]ethanamine
PubChem CID115029662
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-[4-[(4-methylphenyl)methyl]-1,3-oxazol-2-yl]ethanamine
SMILESCc1ccc(Cc2coc(C(C)N)n2)cc1
InChIInChI=1S/C13H16N2O/c1-9-3-5-11(6-4-9)7-12-8-16-13(15-12)10(2)14/h3-6,8,10H,7,14H2,1-2H3
InChIKeyAJOFTYQYGBFLFT-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 115022579
(1R)-3-methyl-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 94400325
3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-1-amine
CID 115084149
(1S)-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104880736
1-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 64545487
4-[(4-fluorophenyl)methyl]-2-methyl-1,3-oxazole
CID 90392955
1-[4-methyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 62331691
1-[2-[(4-methylphenyl)methyl]pyrimidin-4-yl]propan-2-amine
CID 62744340
2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]acetic acid
CID 115084165
1-[2-[(3-methylphenyl)methyl]-1,3-oxazol-4-yl]propan-2-amine
CID 115083806
2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3788399
5-[(4-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 62065378

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methylphenyl)methyl]-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 1-[4-[(4-methylphenyl)methyl]-1,3-oxazol-2-yl]ethanamine (CID 115029662) is 1-[4-[(4-methylphenyl)methyl]-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[(4-methylphenyl)methyl]-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-[(4-methylphenyl)methyl]-1,3-oxazol-2-yl]ethanamine is Cc1ccc(Cc2coc(C(C)N)n2)cc1.
What is the InChIKey of 1-[4-[(4-methylphenyl)methyl]-1,3-oxazol-2-yl]ethanamine?
The InChIKey is AJOFTYQYGBFLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-3-5-11(6-4-9)7-12-8-16-13(15-12)10(2)14/h3-6,8,10H,7,14H2,1-2H3.
What are the key properties of 1-[4-[(4-methylphenyl)methyl]-1,3-oxazol-2-yl]ethanamine?
1-[4-[(4-methylphenyl)methyl]-1,3-oxazol-2-yl]ethanamine has a molecular weight of 216.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylphenyl)methyl]-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 115029662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).