4-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide

C12H9N5O3 — CID 62688151

IUPAC4-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C12H9N5O3/c13-11-10(16-20-17-11)12(18)15-8-3-1-7(2-4-8)9-5-14-6-19-9/h1-6H,(H2,13,17)(H,15,18)
InChIKeyZNQZOTLXOMQPIL-UHFFFAOYSA-N
MW271.24 g/mol
LogP1.56
Rot. Bonds3

About 4-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62688151) has the molecular formula C12H9N5O3 and a molecular weight of 271.24 g/mol. Its IUPAC name is 4-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID62688151
Molecular FormulaC12H9N5O3
Molecular Weight271.24 g/mol
Exact Mass271.07
IUPAC Name4-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)Nc1ccc(-c2cnco2)cc1
InChIInChI=1S/C12H9N5O3/c13-11-10(16-20-17-11)12(18)15-8-3-1-7(2-4-8)9-5-14-6-19-9/h1-6H,(H2,13,17)(H,15,18)
InChIKeyZNQZOTLXOMQPIL-UHFFFAOYSA-N
XLogP1.56
TPSA120.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788932
4-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 60811320
1-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopentane-1-carboxamide
CID 58677105
2,2-dimethyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 2806322
2-amino-N-[4-(1,3-oxazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 114997982
6-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]pyridine-2-carboxamide
CID 62233090
3-bromo-N-[4-(1,3-oxazol-5-yl)phenyl]thiophene-2-carboxamide
CID 61216626
2-(1-aminocyclopentyl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 64684075
3-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 60810765
4-amino-N-(3-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 55103910
4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid
CID 54866818
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1,3-oxazol-5-yl)benzamide
CID 47049817

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide (CID 62688151) is 4-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)Nc1ccc(-c2cnco2)cc1.
What is the InChIKey of 4-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is ZNQZOTLXOMQPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O3/c13-11-10(16-20-17-11)12(18)15-8-3-1-7(2-4-8)9-5-14-6-19-9/h1-6H,(H2,13,17)(H,15,18).
What are the key properties of 4-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 271.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62688151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).