2-(1,3-oxazol-2-ylcarbamoylamino)-3-phenylpropanamide

C13H14N4O3 — CID 140853046

IUPAC2-(1,3-oxazol-2-ylcarbamoylamino)-3-phenylpropanamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)Nc1ncco1
InChIInChI=1S/C13H14N4O3/c14-11(18)10(8-9-4-2-1-3-5-9)16-12(19)17-13-15-6-7-20-13/h1-7,10H,8H2,(H2,14,18)(H2,15,16,17,19)
InChIKeyQRCLOTNFKIWDLA-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.89
Rot. Bonds5

About 2-(1,3-oxazol-2-ylcarbamoylamino)-3-phenylpropanamide

2-(1,3-oxazol-2-ylcarbamoylamino)-3-phenylpropanamide (PubChem CID 140853046) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-ylcarbamoylamino)-3-phenylpropanamide.

Molecular Properties

Compound Name2-(1,3-oxazol-2-ylcarbamoylamino)-3-phenylpropanamide
PubChem CID140853046
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-(1,3-oxazol-2-ylcarbamoylamino)-3-phenylpropanamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)Nc1ncco1
InChIInChI=1S/C13H14N4O3/c14-11(18)10(8-9-4-2-1-3-5-9)16-12(19)17-13-15-6-7-20-13/h1-7,10H,8H2,(H2,14,18)(H2,15,16,17,19)
InChIKeyQRCLOTNFKIWDLA-UHFFFAOYSA-N
XLogP0.89
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-ylcarbamoylamino)-3-phenylpropanamide?
The IUPAC name of 2-(1,3-oxazol-2-ylcarbamoylamino)-3-phenylpropanamide (CID 140853046) is 2-(1,3-oxazol-2-ylcarbamoylamino)-3-phenylpropanamide.
What is the SMILES notation for 2-(1,3-oxazol-2-ylcarbamoylamino)-3-phenylpropanamide?
The canonical SMILES for 2-(1,3-oxazol-2-ylcarbamoylamino)-3-phenylpropanamide is NC(=O)C(Cc1ccccc1)NC(=O)Nc1ncco1.
What is the InChIKey of 2-(1,3-oxazol-2-ylcarbamoylamino)-3-phenylpropanamide?
The InChIKey is QRCLOTNFKIWDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c14-11(18)10(8-9-4-2-1-3-5-9)16-12(19)17-13-15-6-7-20-13/h1-7,10H,8H2,(H2,14,18)(H2,15,16,17,19).
What are the key properties of 2-(1,3-oxazol-2-ylcarbamoylamino)-3-phenylpropanamide?
2-(1,3-oxazol-2-ylcarbamoylamino)-3-phenylpropanamide has a molecular weight of 274.28 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-ylcarbamoylamino)-3-phenylpropanamide is sourced from PubChem (CID 140853046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).