(2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-(3-phenylprop-2-enoylamino)propanamide

C15H15N3O4 — CID 6724452

IUPAC(2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-(3-phenylprop-2-enoylamino)propanamide
SMILESO=C(C=Cc1ccccc1)N[C@@H](CO)C(=O)Nc1ccon1
InChIInChI=1S/C15H15N3O4/c19-10-12(15(21)17-13-8-9-22-18-13)16-14(20)7-6-11-4-2-1-3-5-11/h1-9,12,19H,10H2,(H,16,20)(H,17,18,21)/t12-/m0/s1
InChIKeyUYZFDCASSKHJDA-LBPRGKRZSA-N
MW301.30 g/mol
LogP0.80
Rot. Bonds6

About (2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-(3-phenylprop-2-enoylamino)propanamide

(2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-(3-phenylprop-2-enoylamino)propanamide (PubChem CID 6724452) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is (2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-(3-phenylprop-2-enoylamino)propanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-(3-phenylprop-2-enoylamino)propanamide
PubChem CID6724452
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name(2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-(3-phenylprop-2-enoylamino)propanamide
SMILESO=C(C=Cc1ccccc1)N[C@@H](CO)C(=O)Nc1ccon1
InChIInChI=1S/C15H15N3O4/c19-10-12(15(21)17-13-8-9-22-18-13)16-14(20)7-6-11-4-2-1-3-5-11/h1-9,12,19H,10H2,(H,16,20)(H,17,18,21)/t12-/m0/s1
InChIKeyUYZFDCASSKHJDA-LBPRGKRZSA-N
XLogP0.80
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-[3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoylamino]propanamide
CID 6724492
(2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724762
(E)-N-[(2R)-butan-2-yl]-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 813648
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633
(E)-N-(1-hydroxypropan-2-yl)-3-phenylprop-2-enamide
CID 6434086
(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 137349985
N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-(3-phenylprop-2-enoylamino)propanamide
CID 4685068
(2R)-2-(3-phenylprop-2-enoylamino)butanoic acid
CID 79024008
2-(3-phenylprop-2-enoylamino)butanoic acid
CID 71386191
(2R)-3-hydroxy-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]propanoic acid
CID 80750784
N-[3-hydroxy-1-(1,2-oxazol-3-ylamino)-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 4227522
3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 6247145

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-(3-phenylprop-2-enoylamino)propanamide?
The IUPAC name of (2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-(3-phenylprop-2-enoylamino)propanamide (CID 6724452) is (2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-(3-phenylprop-2-enoylamino)propanamide.
What is the SMILES notation for (2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-(3-phenylprop-2-enoylamino)propanamide?
The canonical SMILES for (2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-(3-phenylprop-2-enoylamino)propanamide is O=C(C=Cc1ccccc1)N[C@@H](CO)C(=O)Nc1ccon1.
What is the InChIKey of (2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-(3-phenylprop-2-enoylamino)propanamide?
The InChIKey is UYZFDCASSKHJDA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15N3O4/c19-10-12(15(21)17-13-8-9-22-18-13)16-14(20)7-6-11-4-2-1-3-5-11/h1-9,12,19H,10H2,(H,16,20)(H,17,18,21)/t12-/m0/s1.
What are the key properties of (2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-(3-phenylprop-2-enoylamino)propanamide?
(2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-(3-phenylprop-2-enoylamino)propanamide has a molecular weight of 301.30 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-(3-phenylprop-2-enoylamino)propanamide is sourced from PubChem (CID 6724452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).