N-[(3S)-3-hydroxy-3-phenylpropyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

C15H17N3O4 — CID 96568341

IUPACN-[(3S)-3-hydroxy-3-phenylpropyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCC[C@H](O)c2ccccc2)no1
InChIInChI=1S/C15H17N3O4/c1-10-9-13(18-22-10)17-15(21)14(20)16-8-7-12(19)11-5-3-2-4-6-11/h2-6,9,12,19H,7-8H2,1H3,(H,16,20)(H,17,18,21)/t12-/m0/s1
InChIKeyHIRRENUPJDOHRK-LBPRGKRZSA-N
MW303.32 g/mol
LogP1.16
Rot. Bonds5

About N-[(3S)-3-hydroxy-3-phenylpropyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide

N-[(3S)-3-hydroxy-3-phenylpropyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (PubChem CID 96568341) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-3-phenylpropyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-3-phenylpropyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
PubChem CID96568341
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC NameN-[(3S)-3-hydroxy-3-phenylpropyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCC[C@H](O)c2ccccc2)no1
InChIInChI=1S/C15H17N3O4/c1-10-9-13(18-22-10)17-15(21)14(20)16-8-7-12(19)11-5-3-2-4-6-11/h2-6,9,12,19H,7-8H2,1H3,(H,16,20)(H,17,18,21)/t12-/m0/s1
InChIKeyHIRRENUPJDOHRK-LBPRGKRZSA-N
XLogP1.16
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(3S)-3-hydroxy-3-phenylpropyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-3-phenylpropyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[(3S)-3-hydroxy-3-phenylpropyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide (CID 96568341) is N-[(3S)-3-hydroxy-3-phenylpropyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-3-phenylpropyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[(3S)-3-hydroxy-3-phenylpropyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is Cc1cc(NC(=O)C(=O)NCC[C@H](O)c2ccccc2)no1.
What is the InChIKey of N-[(3S)-3-hydroxy-3-phenylpropyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
The InChIKey is HIRRENUPJDOHRK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-10-9-13(18-22-10)17-15(21)14(20)16-8-7-12(19)11-5-3-2-4-6-11/h2-6,9,12,19H,7-8H2,1H3,(H,16,20)(H,17,18,21)/t12-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-3-phenylpropyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide?
N-[(3S)-3-hydroxy-3-phenylpropyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide has a molecular weight of 303.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-3-phenylpropyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 96568341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).