N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide

C15H13N9O2 — CID 146038741

IUPACN-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
SMILESCN(Cc1cc(-c2ccccn2)no1)C(=O)c1cc(-n2cnnn2)n[nH]1
InChIInChI=1S/C15H13N9O2/c1-23(8-10-6-12(20-26-10)11-4-2-3-5-16-11)15(25)13-7-14(19-18-13)24-9-17-21-22-24/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyQXDFJCLIXYQBGS-UHFFFAOYSA-N
MW351.33 g/mol
LogP0.71
Rot. Bonds5

About N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide

N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide (PubChem CID 146038741) has the molecular formula C15H13N9O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
PubChem CID146038741
Molecular FormulaC15H13N9O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
SMILESCN(Cc1cc(-c2ccccn2)no1)C(=O)c1cc(-n2cnnn2)n[nH]1
InChIInChI=1S/C15H13N9O2/c1-23(8-10-6-12(20-26-10)11-4-2-3-5-16-11)15(25)13-7-14(19-18-13)24-9-17-21-22-24/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyQXDFJCLIXYQBGS-UHFFFAOYSA-N
XLogP0.71
TPSA131.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 131925280
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CID 72863128
N-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3H-quinazoline-2-carboxamide
CID 137255549
N,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 70760489
N-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide
CID 91790625
2-(5-amino-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 90649169
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146037965
7-fluoro-N,2-dimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]quinoline-4-carboxamide
CID 70783263
N-methyl-3-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 50984748
N-methyl-3-morpholin-4-yl-5-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
CID 135108657
1-[2-[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 72940275
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide (CID 146038741) is N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide is CN(Cc1cc(-c2ccccn2)no1)C(=O)c1cc(-n2cnnn2)n[nH]1.
What is the InChIKey of N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is QXDFJCLIXYQBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N9O2/c1-23(8-10-6-12(20-26-10)11-4-2-3-5-16-11)15(25)13-7-14(19-18-13)24-9-17-21-22-24/h2-7,9H,8H2,1H3,(H,18,19).
What are the key properties of N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 351.33 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 146038741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).