5-cyclopropyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,2-oxazole-3-carboxamide

C18H17N3O3 — CID 90550470

IUPAC5-cyclopropyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,2-oxazole-3-carboxamide
SMILESCNC(=O)c1ccccc1C#CCNC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C18H17N3O3/c1-19-17(22)14-7-3-2-5-12(14)6-4-10-20-18(23)15-11-16(24-21-15)13-8-9-13/h2-3,5,7,11,13H,8-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyBIWZFLVEDPLNSL-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.69
Rot. Bonds4

About 5-cyclopropyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,2-oxazole-3-carboxamide (PubChem CID 90550470) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,2-oxazole-3-carboxamide
PubChem CID90550470
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name5-cyclopropyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,2-oxazole-3-carboxamide
SMILESCNC(=O)c1ccccc1C#CCNC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C18H17N3O3/c1-19-17(22)14-7-3-2-5-12(14)6-4-10-20-18(23)15-11-16(24-21-15)13-8-9-13/h2-3,5,7,11,13H,8-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyBIWZFLVEDPLNSL-UHFFFAOYSA-N
XLogP1.69
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,3-thiazole-4-carboxamide
CID 90550228
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 90580567
N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-indole-3-carboxamide
CID 90550420
4-methyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide
CID 90550468
2-(3-aminoprop-1-ynyl)-N-methylbenzamide
CID 60820705
N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 90550236
3-(4-fluorophenyl)-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90550231
N-[4-(3-acetamidophenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 90577423
2-[3-[[3-(dimethylamino)benzoyl]amino]prop-1-ynyl]-N-methylbenzamide
CID 90550453
N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 115636972
2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide
CID 90550373
N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119529507

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,2-oxazole-3-carboxamide (CID 90550470) is 5-cyclopropyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,2-oxazole-3-carboxamide is CNC(=O)c1ccccc1C#CCNC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BIWZFLVEDPLNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-19-17(22)14-7-3-2-5-12(14)6-4-10-20-18(23)15-11-16(24-21-15)13-8-9-13/h2-3,5,7,11,13H,8-10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 5-cyclopropyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,2-oxazole-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90550470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).