N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-prop-2-enylpropanamide

C17H19N3O3 — CID 813689

IUPACN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-prop-2-enylpropanamide
SMILESC=CCN(CC(=O)Nc1ccon1)C(=O)CCc1ccccc1
InChIInChI=1S/C17H19N3O3/c1-2-11-20(13-16(21)18-15-10-12-23-19-15)17(22)9-8-14-6-4-3-5-7-14/h2-7,10,12H,1,8-9,11,13H2,(H,18,19,21)
InChIKeyZZJOJMNOCLBSLR-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.26
Rot. Bonds8

About N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-prop-2-enylpropanamide

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-prop-2-enylpropanamide (PubChem CID 813689) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-prop-2-enylpropanamide
PubChem CID813689
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-prop-2-enylpropanamide
SMILESC=CCN(CC(=O)Nc1ccon1)C(=O)CCc1ccccc1
InChIInChI=1S/C17H19N3O3/c1-2-11-20(13-16(21)18-15-10-12-23-19-15)17(22)9-8-14-6-4-3-5-7-14/h2-7,10,12H,1,8-9,11,13H2,(H,18,19,21)
InChIKeyZZJOJMNOCLBSLR-UHFFFAOYSA-N
XLogP2.26
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide
CID 42769068
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenyl-N-prop-2-enylbutanamide
CID 3332397
N-ethyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenylacetamide
CID 814456
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide
CID 42769078
1-methyl-3-(1,2-oxazol-3-yl)-1-prop-2-enylurea
CID 130684719
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663984
2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 3704989
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-prop-2-enylbutanamide
CID 4616353
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]nonanamide
CID 4075259
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propyltetradecanamide
CID 42664167
N-butyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42663973
2-[benzylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769290

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-prop-2-enylpropanamide?
The IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-prop-2-enylpropanamide (CID 813689) is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-prop-2-enylpropanamide.
What is the SMILES notation for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-prop-2-enylpropanamide?
The canonical SMILES for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-prop-2-enylpropanamide is C=CCN(CC(=O)Nc1ccon1)C(=O)CCc1ccccc1.
What is the InChIKey of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-prop-2-enylpropanamide?
The InChIKey is ZZJOJMNOCLBSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-2-11-20(13-16(21)18-15-10-12-23-19-15)17(22)9-8-14-6-4-3-5-7-14/h2-7,10,12H,1,8-9,11,13H2,(H,18,19,21).
What are the key properties of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-prop-2-enylpropanamide?
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-prop-2-enylpropanamide has a molecular weight of 313.36 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 813689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).