2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide

C10H10N2O2 — CID 562727

IUPAC2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESNC(=O)C1COC(c2ccccc2)=N1
InChIInChI=1S/C10H10N2O2/c11-9(13)8-6-14-10(12-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,13)
InChIKeyFPNXPMZRQHFPPH-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.32
Rot. Bonds2

About 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide

2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 562727) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID562727
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESNC(=O)C1COC(c2ccccc2)=N1
InChIInChI=1S/C10H10N2O2/c11-9(13)8-6-14-10(12-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,13)
InChIKeyFPNXPMZRQHFPPH-UHFFFAOYSA-N
XLogP0.32
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 562727) is 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide is NC(=O)C1COC(c2ccccc2)=N1.
What is the InChIKey of 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is FPNXPMZRQHFPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-9(13)8-6-14-10(12-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,13).
What are the key properties of 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 190.20 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 562727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).