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

C18H17N3O4 — CID 90580567

IUPACN-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1ccccc1OCC#CCNC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C18H17N3O4/c19-17(22)13-5-1-2-6-15(13)24-10-4-3-9-20-18(23)14-11-16(25-21-14)12-7-8-12/h1-2,5-6,11-12H,7-10H2,(H2,19,22)(H,20,23)
InChIKeyCWHQOSWZYBTOES-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.46
Rot. Bonds6

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

N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 90580567) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID90580567
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNC(=O)c1ccccc1OCC#CCNC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C18H17N3O4/c19-17(22)13-5-1-2-6-15(13)24-10-4-3-9-20-18(23)14-11-16(25-21-14)12-7-8-12/h1-2,5-6,11-12H,7-10H2,(H2,19,22)(H,20,23)
InChIKeyCWHQOSWZYBTOES-UHFFFAOYSA-N
XLogP1.46
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.46
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-(3-acetamidophenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 90577423
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-1-methyltriazole-4-carboxamide
CID 71803293
2-(4-benzamidobut-2-ynoxy)benzamide
CID 90580452
5-cyclopropyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,2-oxazole-3-carboxamide
CID 90550470
N-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide
CID 90580490
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 90580413
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 71803213
2-[4-[(2-methylsulfanylbenzoyl)amino]but-2-ynoxy]benzamide
CID 90580532
2-(4-aminobut-2-ynoxy)benzamide
CID 126851898
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90580562
2-[4-[(2-thiophen-2-ylacetyl)amino]but-2-ynoxy]benzamide
CID 71803258
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-2-nitrobenzamide
CID 90580480

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 90580567) is N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is NC(=O)c1ccccc1OCC#CCNC(=O)c1cc(C2CC2)on1.
What is the InChIKey of N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is CWHQOSWZYBTOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c19-17(22)13-5-1-2-6-15(13)24-10-4-3-9-20-18(23)14-11-16(25-21-14)12-7-8-12/h1-2,5-6,11-12H,7-10H2,(H2,19,22)(H,20,23).
What are the key properties of N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90580567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).