(E)-N-[(2R)-butan-2-yl]-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide

C18H21N3O3 — CID 813648

IUPAC(E)-N-[(2R)-butan-2-yl]-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCC[C@@H](C)N(CC(=O)Nc1ccon1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-3-14(2)21(13-17(22)19-16-11-12-24-20-16)18(23)10-9-15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,19,20,22)/b10-9+/t14-/m1/s1
InChIKeyIYWBLJLHSNQTHC-ATWMFIQVSA-N
MW327.38 g/mol
LogP2.95
Rot. Bonds7

About (E)-N-[(2R)-butan-2-yl]-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide

(E)-N-[(2R)-butan-2-yl]-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide (PubChem CID 813648) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (E)-N-[(2R)-butan-2-yl]-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2R)-butan-2-yl]-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide
PubChem CID813648
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(E)-N-[(2R)-butan-2-yl]-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCC[C@@H](C)N(CC(=O)Nc1ccon1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-3-14(2)21(13-17(22)19-16-11-12-24-20-16)18(23)10-9-15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,19,20,22)/b10-9+/t14-/m1/s1
InChIKeyIYWBLJLHSNQTHC-ATWMFIQVSA-N
XLogP2.95
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[(2R)-butan-2-yl]-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide with MolForge

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Related Compounds

N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 5085996
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 4142043
(E)-N-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 7237051
N-butan-2-yl-3,5-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 42769002
N-butan-2-yl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 42770908
(2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-(3-phenylprop-2-enoylamino)propanamide
CID 6724452
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 813725
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-yloctanamide
CID 42769111
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2-phenyl-N-prop-2-enylbutanamide
CID 3332397
N-ethyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 814467
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 4087470
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2,2-diphenyl-N-propylacetamide
CID 42769030

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R)-butan-2-yl]-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(2R)-butan-2-yl]-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide (CID 813648) is (E)-N-[(2R)-butan-2-yl]-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2R)-butan-2-yl]-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(2R)-butan-2-yl]-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide is CC[C@@H](C)N(CC(=O)Nc1ccon1)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[(2R)-butan-2-yl]-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide?
The InChIKey is IYWBLJLHSNQTHC-ATWMFIQVSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-14(2)21(13-17(22)19-16-11-12-24-20-16)18(23)10-9-15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,19,20,22)/b10-9+/t14-/m1/s1.
What are the key properties of (E)-N-[(2R)-butan-2-yl]-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide?
(E)-N-[(2R)-butan-2-yl]-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide has a molecular weight of 327.38 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R)-butan-2-yl]-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 813648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).