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

C13H16N2O — CID 115084536

IUPAC2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-1-amine
SMILESCc1ccc(-c2nc(C(C)CN)co2)cc1
InChIInChI=1S/C13H16N2O/c1-9-3-5-11(6-4-9)13-15-12(8-16-13)10(2)7-14/h3-6,8,10H,7,14H2,1-2H3
InChIKeyQEVBMHCYMOHABE-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.71
Rot. Bonds3

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

2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-1-amine (PubChem CID 115084536) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-1-amine
PubChem CID115084536
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-1-amine
SMILESCc1ccc(-c2nc(C(C)CN)co2)cc1
InChIInChI=1S/C13H16N2O/c1-9-3-5-11(6-4-9)13-15-12(8-16-13)10(2)7-14/h3-6,8,10H,7,14H2,1-2H3
InChIKeyQEVBMHCYMOHABE-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-1-amine?
The IUPAC name of 2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-1-amine (CID 115084536) is 2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-1-amine?
The canonical SMILES for 2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-1-amine is Cc1ccc(-c2nc(C(C)CN)co2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-1-amine?
The InChIKey is QEVBMHCYMOHABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-3-5-11(6-4-9)13-15-12(8-16-13)10(2)7-14/h3-6,8,10H,7,14H2,1-2H3.
What are the key properties of 2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-1-amine?
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-1-amine has a molecular weight of 216.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-1-amine is sourced from PubChem (CID 115084536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).