N-[2-[[(2R)-1-hydroxypent-4-en-2-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C17H19N3O4 — CID 99783279

IUPACN-[2-[[(2R)-1-hydroxypent-4-en-2-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC=CC[C@H](CO)NC(=O)CNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H19N3O4/c1-2-6-13(11-21)19-16(22)10-18-17(23)14-9-15(24-20-14)12-7-4-3-5-8-12/h2-5,7-9,13,21H,1,6,10-11H2,(H,18,23)(H,19,22)/t13-/m1/s1
InChIKeyXKDDHGANKBRDBZ-CYBMUJFWSA-N
MW329.36 g/mol
LogP1.12
Rot. Bonds8

About N-[2-[[(2R)-1-hydroxypent-4-en-2-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-[[(2R)-1-hydroxypent-4-en-2-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 99783279) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[2-[[(2R)-1-hydroxypent-4-en-2-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2R)-1-hydroxypent-4-en-2-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID99783279
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[2-[[(2R)-1-hydroxypent-4-en-2-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC=CC[C@H](CO)NC(=O)CNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C17H19N3O4/c1-2-6-13(11-21)19-16(22)10-18-17(23)14-9-15(24-20-14)12-7-4-3-5-8-12/h2-5,7-9,13,21H,1,6,10-11H2,(H,18,23)(H,19,22)/t13-/m1/s1
InChIKeyXKDDHGANKBRDBZ-CYBMUJFWSA-N
XLogP1.12
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[[(2R)-1-hydroxypent-4-en-2-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51103232
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CID 75617038
N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 65031495
N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51103315
N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95383413
N-[2-oxo-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52518637
N-(1-aminoprop-2-enyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 118877210
N-[2-(2-ethylanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51262131
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110313220
N-(2-cyclopropyl-2-hydroxyethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 63295331
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-1-hydroxypent-4-en-2-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[[(2R)-1-hydroxypent-4-en-2-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 99783279) is N-[2-[[(2R)-1-hydroxypent-4-en-2-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[[(2R)-1-hydroxypent-4-en-2-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[[(2R)-1-hydroxypent-4-en-2-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is C=CC[C@H](CO)NC(=O)CNC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[2-[[(2R)-1-hydroxypent-4-en-2-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is XKDDHGANKBRDBZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-2-6-13(11-21)19-16(22)10-18-17(23)14-9-15(24-20-14)12-7-4-3-5-8-12/h2-5,7-9,13,21H,1,6,10-11H2,(H,18,23)(H,19,22)/t13-/m1/s1.
What are the key properties of N-[2-[[(2R)-1-hydroxypent-4-en-2-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-[[(2R)-1-hydroxypent-4-en-2-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.12, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-1-hydroxypent-4-en-2-yl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 99783279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).