2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide

C12H13N3O2 — CID 110852301

IUPAC2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
SMILESNc1nc(C(=O)NCCc2ccccc2)co1
InChIInChI=1S/C12H13N3O2/c13-12-15-10(8-17-12)11(16)14-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,13,15)(H,14,16)
InChIKeyDAENPZOOGXWBMG-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.23
Rot. Bonds4

About 2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide

2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 110852301) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
PubChem CID110852301
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
SMILESNc1nc(C(=O)NCCc2ccccc2)co1
InChIInChI=1S/C12H13N3O2/c13-12-15-10(8-17-12)11(16)14-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,13,15)(H,14,16)
InChIKeyDAENPZOOGXWBMG-UHFFFAOYSA-N
XLogP1.23
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamido-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 90515066
2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 4596847
2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 3798183
2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3671198
2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 29088068
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3665798
N-(2-phenylethyl)pyridazine-3-carboxamide
CID 5299221
3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807337
2-(1-amino-2-phenylethyl)-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 3807301
N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515222
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide (CID 110852301) is 2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide is Nc1nc(C(=O)NCCc2ccccc2)co1.
What is the InChIKey of 2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is DAENPZOOGXWBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-12-15-10(8-17-12)11(16)14-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,13,15)(H,14,16).
What are the key properties of 2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 110852301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).