4-amino-N-(4-carbamoyl-3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide

C10H8ClN5O3 — CID 62688148

IUPAC4-amino-N-(4-carbamoyl-3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2nonc2N)cc1Cl
InChIInChI=1S/C10H8ClN5O3/c11-6-3-4(1-2-5(6)9(13)17)14-10(18)7-8(12)16-19-15-7/h1-3H,(H2,12,16)(H2,13,17)(H,14,18)
InChIKeyGVRKSTFWNFQSNO-UHFFFAOYSA-N
MW281.66 g/mol
LogP0.66
Rot. Bonds3

About 4-amino-N-(4-carbamoyl-3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(4-carbamoyl-3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62688148) has the molecular formula C10H8ClN5O3 and a molecular weight of 281.66 g/mol. Its IUPAC name is 4-amino-N-(4-carbamoyl-3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-carbamoyl-3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62688148
Molecular FormulaC10H8ClN5O3
Molecular Weight281.66 g/mol
Exact Mass281.03
IUPAC Name4-amino-N-(4-carbamoyl-3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2nonc2N)cc1Cl
InChIInChI=1S/C10H8ClN5O3/c11-6-3-4(1-2-5(6)9(13)17)14-10(18)7-8(12)16-19-15-7/h1-3H,(H2,12,16)(H2,13,17)(H,14,18)
InChIKeyGVRKSTFWNFQSNO-UHFFFAOYSA-N
XLogP0.66
TPSA137.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(3-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 55103910
3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 56762366
4-amino-N-(3,4-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 17085500
N-(4-carbamoyl-3-chlorophenyl)-6-chloropyridazine-3-carboxamide
CID 61051510
4-amino-N-(2-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688483
4-[(2-amino-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 62057564
N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81226788
4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 55103950
4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687766
N-(4-carbamoyl-3-chlorophenyl)thiophene-3-carboxamide
CID 39170420
4-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688517
methyl 3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]benzoate
CID 62686184

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-carbamoyl-3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4-carbamoyl-3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide (CID 62688148) is 4-amino-N-(4-carbamoyl-3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-carbamoyl-3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-carbamoyl-3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide is NC(=O)c1ccc(NC(=O)c2nonc2N)cc1Cl.
What is the InChIKey of 4-amino-N-(4-carbamoyl-3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is GVRKSTFWNFQSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O3/c11-6-3-4(1-2-5(6)9(13)17)14-10(18)7-8(12)16-19-15-7/h1-3H,(H2,12,16)(H2,13,17)(H,14,18).
What are the key properties of 4-amino-N-(4-carbamoyl-3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(4-carbamoyl-3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 281.66 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-carbamoyl-3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62688148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).