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

C11H10N8O2 — CID 62688500

IUPAC4-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2nonc2N)c1
InChIInChI=1S/C11H10N8O2/c1-19-10(14-17-18-19)6-3-2-4-7(5-6)13-11(20)8-9(12)16-21-15-8/h2-5H,1H3,(H2,12,16)(H,13,20)
InChIKeyDEFLUBURJAMSJN-UHFFFAOYSA-N
MW286.26 g/mol
LogP0.09
Rot. Bonds3

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

4-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62688500) has the molecular formula C11H10N8O2 and a molecular weight of 286.26 g/mol. Its IUPAC name is 4-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID62688500
Molecular FormulaC11H10N8O2
Molecular Weight286.26 g/mol
Exact Mass286.09
IUPAC Name4-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2nonc2N)c1
InChIInChI=1S/C11H10N8O2/c1-19-10(14-17-18-19)6-3-2-4-7(5-6)13-11(20)8-9(12)16-21-15-8/h2-5H,1H3,(H2,12,16)(H,13,20)
InChIKeyDEFLUBURJAMSJN-UHFFFAOYSA-N
XLogP0.09
TPSA137.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788208
3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808067
4-amino-N-(3-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 55103910
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 30414116
2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 17422742
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxochromene-2-carboxamide
CID 41356371
N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733195
1-hydroxy-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide
CID 110907120
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 51304309

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide (CID 62688500) is 4-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide is Cn1nnnc1-c1cccc(NC(=O)c2nonc2N)c1.
What is the InChIKey of 4-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is DEFLUBURJAMSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N8O2/c1-19-10(14-17-18-19)6-3-2-4-7(5-6)13-11(20)8-9(12)16-21-15-8/h2-5H,1H3,(H2,12,16)(H,13,20).
What are the key properties of 4-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 286.26 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62688500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).