N-[4-(3-acetamidophenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C19H19N3O4 — CID 90577423

IUPACN-[4-(3-acetamidophenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)Nc1cccc(OCC#CCNC(=O)c2cc(C3CC3)on2)c1
InChIInChI=1S/C19H19N3O4/c1-13(23)21-15-5-4-6-16(11-15)25-10-3-2-9-20-19(24)17-12-18(26-22-17)14-7-8-14/h4-6,11-12,14H,7-10H2,1H3,(H,20,24)(H,21,23)
InChIKeyWRVKCEDFGJDAKK-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.32
Rot. Bonds6

About N-[4-(3-acetamidophenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[4-(3-acetamidophenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 90577423) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[4-(3-acetamidophenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-acetamidophenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID90577423
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[4-(3-acetamidophenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)Nc1cccc(OCC#CCNC(=O)c2cc(C3CC3)on2)c1
InChIInChI=1S/C19H19N3O4/c1-13(23)21-15-5-4-6-16(11-15)25-10-3-2-9-20-19(24)17-12-18(26-22-17)14-7-8-14/h4-6,11-12,14H,7-10H2,1H3,(H,20,24)(H,21,23)
InChIKeyWRVKCEDFGJDAKK-UHFFFAOYSA-N
XLogP2.32
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 90580567
N-[4-(3-acetamidophenoxy)but-2-ynyl]-3-cyclopentylpropanamide
CID 90577231
N-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide
CID 90577447
N-[4-(3-acetamidophenoxy)but-2-ynyl]-4-propylthiadiazole-5-carboxamide
CID 90577411
N-[4-(3-acetamidophenoxy)but-2-ynyl]-3,4-diethoxybenzamide
CID 90577265
N-[4-(3-acetamidophenoxy)but-2-ynyl]-2-(3-methylphenyl)acetamide
CID 90577329
N-[4-(3-acetamidophenoxy)but-2-ynyl]-5-chloro-2-methoxybenzamide
CID 90577284
N-[4-(3-acetamidophenoxy)but-2-ynyl]-3,3-diphenylpropanamide
CID 90577336
5-cyclopropyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,2-oxazole-3-carboxamide
CID 90550470
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
ethyl 4-[4-(3-acetamidophenoxy)but-2-ynylamino]-4-oxobutanoate
CID 90577240
N-[3-[4-(propan-2-ylsulfonylamino)but-2-ynoxy]phenyl]acetamide
CID 90577537

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-acetamidophenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(3-acetamidophenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 90577423) is N-[4-(3-acetamidophenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(3-acetamidophenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(3-acetamidophenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is CC(=O)Nc1cccc(OCC#CCNC(=O)c2cc(C3CC3)on2)c1.
What is the InChIKey of N-[4-(3-acetamidophenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is WRVKCEDFGJDAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-13(23)21-15-5-4-6-16(11-15)25-10-3-2-9-20-19(24)17-12-18(26-22-17)14-7-8-14/h4-6,11-12,14H,7-10H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[4-(3-acetamidophenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[4-(3-acetamidophenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-acetamidophenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90577423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).