2-(cyclopropanecarbonylamino)-N-methoxy-1,3-oxazole-4-carboxamide

C9H11N3O4 — CID 56765163

IUPAC2-(cyclopropanecarbonylamino)-N-methoxy-1,3-oxazole-4-carboxamide
SMILESCONC(=O)c1coc(NC(=O)C2CC2)n1
InChIInChI=1S/C9H11N3O4/c1-15-12-8(14)6-4-16-9(10-6)11-7(13)5-2-3-5/h4-5H,2-3H2,1H3,(H,12,14)(H,10,11,13)
InChIKeyVRTAEBLPTNQFNY-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.31
Rot. Bonds4

About 2-(cyclopropanecarbonylamino)-N-methoxy-1,3-oxazole-4-carboxamide

2-(cyclopropanecarbonylamino)-N-methoxy-1,3-oxazole-4-carboxamide (PubChem CID 56765163) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-methoxy-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-methoxy-1,3-oxazole-4-carboxamide
PubChem CID56765163
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-(cyclopropanecarbonylamino)-N-methoxy-1,3-oxazole-4-carboxamide
SMILESCONC(=O)c1coc(NC(=O)C2CC2)n1
InChIInChI=1S/C9H11N3O4/c1-15-12-8(14)6-4-16-9(10-6)11-7(13)5-2-3-5/h4-5H,2-3H2,1H3,(H,12,14)(H,10,11,13)
InChIKeyVRTAEBLPTNQFNY-UHFFFAOYSA-N
XLogP0.31
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide
CID 121110555
N-(2-carbamoylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide
CID 121110560
2-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 71788416
N-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide
CID 121110475
2-(cyclopropanecarbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 121110596
2-(cyclopropanecarbonylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 121110592
N-[4-(4-hydroxypiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide
CID 121110480
2-(cyclopropanecarbonylamino)-N-[2-(4-fluorophenoxy)ethyl]-1,3-oxazole-4-carboxamide
CID 121110467
2-(cyclopropanecarbonylamino)-N-[3-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 71788429
N-[4-(4-benzylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide
CID 56765140
N-(1,3-benzoxazol-2-yl)-4-methoxycyclohexane-1-carboxamide
CID 112528197
N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]cyclopropanecarboxamide
CID 121110608

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-methoxy-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-methoxy-1,3-oxazole-4-carboxamide (CID 56765163) is 2-(cyclopropanecarbonylamino)-N-methoxy-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-methoxy-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-methoxy-1,3-oxazole-4-carboxamide is CONC(=O)c1coc(NC(=O)C2CC2)n1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-methoxy-1,3-oxazole-4-carboxamide?
The InChIKey is VRTAEBLPTNQFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-15-12-8(14)6-4-16-9(10-6)11-7(13)5-2-3-5/h4-5H,2-3H2,1H3,(H,12,14)(H,10,11,13).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-methoxy-1,3-oxazole-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-methoxy-1,3-oxazole-4-carboxamide has a molecular weight of 225.20 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-methoxy-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56765163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).