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

C18H21N3O3 — CID 3332397

IUPACN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenyl-N-prop-2-enylbutanamide
SMILESC=CCN(CC(=O)Nc1ccon1)C(=O)C(CC)c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-3-11-21(13-17(22)19-16-10-12-24-20-16)18(23)15(4-2)14-8-6-5-7-9-14/h3,5-10,12,15H,1,4,11,13H2,2H3,(H,19,20,22)
InChIKeyPRRLHASKTTYGSS-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.82
Rot. Bonds8

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

N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenyl-N-prop-2-enylbutanamide (PubChem CID 3332397) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenyl-N-prop-2-enylbutanamide
PubChem CID3332397
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenyl-N-prop-2-enylbutanamide
SMILESC=CCN(CC(=O)Nc1ccon1)C(=O)C(CC)c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-3-11-21(13-17(22)19-16-10-12-24-20-16)18(23)15(4-2)14-8-6-5-7-9-14/h3,5-10,12,15H,1,4,11,13H2,2H3,(H,19,20,22)
InChIKeyPRRLHASKTTYGSS-UHFFFAOYSA-N
XLogP2.82
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.82
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-methoxyethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenylbutanamide
CID 42769157
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-phenyl-N-prop-2-enylbutanamide
CID 4995894
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-prop-2-enylpropanamide
CID 813689
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2,2-diphenyl-N-propylacetamide
CID 42769030
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-prop-2-enylheptanamide
CID 42769068
(2S)-N-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide
CID 7413286
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
(2S)-N-(3-methylbutyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylbutanamide
CID 7225268
N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 5085996
1-methyl-3-(1,2-oxazol-3-yl)-1-prop-2-enylurea
CID 130684719
N-ethyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 814467

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenyl-N-prop-2-enylbutanamide?
The IUPAC name of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenyl-N-prop-2-enylbutanamide (CID 3332397) is N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenyl-N-prop-2-enylbutanamide.
What is the SMILES notation for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenyl-N-prop-2-enylbutanamide?
The canonical SMILES for N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenyl-N-prop-2-enylbutanamide is C=CCN(CC(=O)Nc1ccon1)C(=O)C(CC)c1ccccc1.
What is the InChIKey of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenyl-N-prop-2-enylbutanamide?
The InChIKey is PRRLHASKTTYGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-11-21(13-17(22)19-16-10-12-24-20-16)18(23)15(4-2)14-8-6-5-7-9-14/h3,5-10,12,15H,1,4,11,13H2,2H3,(H,19,20,22).
What are the key properties of N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenyl-N-prop-2-enylbutanamide?
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenyl-N-prop-2-enylbutanamide has a molecular weight of 327.38 g/mol, XLogP of 2.82, 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]-2-phenyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 3332397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).