5-(1-phenylethyl)-4H-1,2-oxazole-5-carboxamide

C12H14N2O2 — CID 163398617

IUPAC5-(1-phenylethyl)-4H-1,2-oxazole-5-carboxamide
SMILESCC(c1ccccc1)C1(C(N)=O)CC=NO1
InChIInChI=1S/C12H14N2O2/c1-9(10-5-3-2-4-6-10)12(11(13)15)7-8-14-16-12/h2-6,8-9H,7H2,1H3,(H2,13,15)
InChIKeyCCEIVEDASGMOCW-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.42
Rot. Bonds3

About 5-(1-phenylethyl)-4H-1,2-oxazole-5-carboxamide

5-(1-phenylethyl)-4H-1,2-oxazole-5-carboxamide (PubChem CID 163398617) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(1-phenylethyl)-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name5-(1-phenylethyl)-4H-1,2-oxazole-5-carboxamide
PubChem CID163398617
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name5-(1-phenylethyl)-4H-1,2-oxazole-5-carboxamide
SMILESCC(c1ccccc1)C1(C(N)=O)CC=NO1
InChIInChI=1S/C12H14N2O2/c1-9(10-5-3-2-4-6-10)12(11(13)15)7-8-14-16-12/h2-6,8-9H,7H2,1H3,(H2,13,15)
InChIKeyCCEIVEDASGMOCW-UHFFFAOYSA-N
XLogP1.42
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylethyl)-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 5-(1-phenylethyl)-4H-1,2-oxazole-5-carboxamide (CID 163398617) is 5-(1-phenylethyl)-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 5-(1-phenylethyl)-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 5-(1-phenylethyl)-4H-1,2-oxazole-5-carboxamide is CC(c1ccccc1)C1(C(N)=O)CC=NO1.
What is the InChIKey of 5-(1-phenylethyl)-4H-1,2-oxazole-5-carboxamide?
The InChIKey is CCEIVEDASGMOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9(10-5-3-2-4-6-10)12(11(13)15)7-8-14-16-12/h2-6,8-9H,7H2,1H3,(H2,13,15).
What are the key properties of 5-(1-phenylethyl)-4H-1,2-oxazole-5-carboxamide?
5-(1-phenylethyl)-4H-1,2-oxazole-5-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylethyl)-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 163398617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).