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

C12H14N2O — CID 115022579

IUPAC1-[4-(4-methylphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCc1ccc(-c2coc(C(C)N)n2)cc1
InChIInChI=1S/C12H14N2O/c1-8-3-5-10(6-4-8)11-7-15-12(14-11)9(2)13/h3-7,9H,13H2,1-2H3
InChIKeyLYUDQUMODNEZMB-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.67
Rot. Bonds2

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

1-[4-(4-methylphenyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 115022579) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID115022579
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-[4-(4-methylphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCc1ccc(-c2coc(C(C)N)n2)cc1
InChIInChI=1S/C12H14N2O/c1-8-3-5-10(6-4-8)11-7-15-12(14-11)9(2)13/h3-7,9H,13H2,1-2H3
InChIKeyLYUDQUMODNEZMB-UHFFFAOYSA-N
XLogP2.67
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-methylphenyl)-1,3-oxazol-2-yl]-2-sulfanylacetic acid
CID 21408287
1-[4-[(4-methylphenyl)methyl]-1,3-oxazol-2-yl]ethanamine
CID 115029662
2-chloro-4-(4-methylphenyl)-1,3-oxazole
CID 21408388
1-[4-(2-methyl-1,3-oxazol-4-yl)phenoxy]ethanamine
CID 173233608
1-[2-methyl-6-(4-methylphenyl)-3-pyridinyl]ethanamine
CID 82452485
2-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-oxazole
CID 102468704
3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]aniline
CID 20971452
1-[5-(4-methylphenyl)-3-pyridinyl]ethanamine
CID 82542177
(1S)-1-[3-(2-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 130517493
2-bromo-4-(4-propan-2-ylphenyl)-1,3-oxazole
CID 102974645
6-(1-aminoethyl)-4-(4-methylphenyl)-1H-pyrimidin-2-one
CID 83850282
3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide
CID 60837809

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 1-[4-(4-methylphenyl)-1,3-oxazol-2-yl]ethanamine (CID 115022579) is 1-[4-(4-methylphenyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(4-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-(4-methylphenyl)-1,3-oxazol-2-yl]ethanamine is Cc1ccc(-c2coc(C(C)N)n2)cc1.
What is the InChIKey of 1-[4-(4-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is LYUDQUMODNEZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-3-5-10(6-4-8)11-7-15-12(14-11)9(2)13/h3-7,9H,13H2,1-2H3.
What are the key properties of 1-[4-(4-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
1-[4-(4-methylphenyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 202.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 115022579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).