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

C15H14N4O4 — CID 121110560

IUPACN-(2-carbamoylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1coc(NC(=O)C2CC2)n1
InChIInChI=1S/C15H14N4O4/c16-12(20)9-3-1-2-4-10(9)17-14(22)11-7-23-15(18-11)19-13(21)8-5-6-8/h1-4,7-8H,5-6H2,(H2,16,20)(H,17,22)(H,18,19,21)
InChIKeyCWGZRNHDIALLSV-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.37
Rot. Bonds5

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

N-(2-carbamoylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 121110560) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID121110560
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC NameN-(2-carbamoylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1coc(NC(=O)C2CC2)n1
InChIInChI=1S/C15H14N4O4/c16-12(20)9-3-1-2-4-10(9)17-14(22)11-7-23-15(18-11)19-13(21)8-5-6-8/h1-4,7-8H,5-6H2,(H2,16,20)(H,17,22)(H,18,19,21)
InChIKeyCWGZRNHDIALLSV-UHFFFAOYSA-N
XLogP1.37
TPSA127.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide (CID 121110560) is N-(2-carbamoylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide is NC(=O)c1ccccc1NC(=O)c1coc(NC(=O)C2CC2)n1.
What is the InChIKey of N-(2-carbamoylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is CWGZRNHDIALLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c16-12(20)9-3-1-2-4-10(9)17-14(22)11-7-23-15(18-11)19-13(21)8-5-6-8/h1-4,7-8H,5-6H2,(H2,16,20)(H,17,22)(H,18,19,21).
What are the key properties of N-(2-carbamoylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide?
N-(2-carbamoylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 314.30 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-2-(cyclopropanecarbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 121110560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).