5-[(4-methylpyrazol-1-yl)methyl]-N-[2-(2H-tetrazol-5-yl)butan-2-yl]-1,2-oxazole-3-carboxamide

C14H18N8O2 — CID 167957277

IUPAC5-[(4-methylpyrazol-1-yl)methyl]-N-[2-(2H-tetrazol-5-yl)butan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCCC(C)(NC(=O)c1cc(Cn2cc(C)cn2)on1)c1nn[nH]n1
InChIInChI=1S/C14H18N8O2/c1-4-14(3,13-17-20-21-18-13)16-12(23)11-5-10(24-19-11)8-22-7-9(2)6-15-22/h5-7H,4,8H2,1-3H3,(H,16,23)(H,17,18,20,21)
InChIKeyFZBFNFXVXKVPKD-UHFFFAOYSA-N
MW330.35 g/mol
LogP0.80
Rot. Bonds6

About 5-[(4-methylpyrazol-1-yl)methyl]-N-[2-(2H-tetrazol-5-yl)butan-2-yl]-1,2-oxazole-3-carboxamide

5-[(4-methylpyrazol-1-yl)methyl]-N-[2-(2H-tetrazol-5-yl)butan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 167957277) has the molecular formula C14H18N8O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 5-[(4-methylpyrazol-1-yl)methyl]-N-[2-(2H-tetrazol-5-yl)butan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-methylpyrazol-1-yl)methyl]-N-[2-(2H-tetrazol-5-yl)butan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID167957277
Molecular FormulaC14H18N8O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name5-[(4-methylpyrazol-1-yl)methyl]-N-[2-(2H-tetrazol-5-yl)butan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCCC(C)(NC(=O)c1cc(Cn2cc(C)cn2)on1)c1nn[nH]n1
InChIInChI=1S/C14H18N8O2/c1-4-14(3,13-17-20-21-18-13)16-12(23)11-5-10(24-19-11)8-22-7-9(2)6-15-22/h5-7H,4,8H2,1-3H3,(H,16,23)(H,17,18,20,21)
InChIKeyFZBFNFXVXKVPKD-UHFFFAOYSA-N
XLogP0.80
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 120518510
5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63579229
N-(3-hydroxybutyl)-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 109476379
4-[(2-methylpropan-2-yl)oxy]-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 120533690
N-[2-(2H-tetrazol-5-yl)butan-2-yl]benzamide
CID 110192441
4-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524527
5-[(4-methylpyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 126768791
N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 75469782
N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 146065843
2-[2-methylpropyl-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]acetic acid
CID 120517205
N-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 136517757
2-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 120517778

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpyrazol-1-yl)methyl]-N-[2-(2H-tetrazol-5-yl)butan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-methylpyrazol-1-yl)methyl]-N-[2-(2H-tetrazol-5-yl)butan-2-yl]-1,2-oxazole-3-carboxamide (CID 167957277) is 5-[(4-methylpyrazol-1-yl)methyl]-N-[2-(2H-tetrazol-5-yl)butan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-methylpyrazol-1-yl)methyl]-N-[2-(2H-tetrazol-5-yl)butan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-methylpyrazol-1-yl)methyl]-N-[2-(2H-tetrazol-5-yl)butan-2-yl]-1,2-oxazole-3-carboxamide is CCC(C)(NC(=O)c1cc(Cn2cc(C)cn2)on1)c1nn[nH]n1.
What is the InChIKey of 5-[(4-methylpyrazol-1-yl)methyl]-N-[2-(2H-tetrazol-5-yl)butan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is FZBFNFXVXKVPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8O2/c1-4-14(3,13-17-20-21-18-13)16-12(23)11-5-10(24-19-11)8-22-7-9(2)6-15-22/h5-7H,4,8H2,1-3H3,(H,16,23)(H,17,18,20,21).
What are the key properties of 5-[(4-methylpyrazol-1-yl)methyl]-N-[2-(2H-tetrazol-5-yl)butan-2-yl]-1,2-oxazole-3-carboxamide?
5-[(4-methylpyrazol-1-yl)methyl]-N-[2-(2H-tetrazol-5-yl)butan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpyrazol-1-yl)methyl]-N-[2-(2H-tetrazol-5-yl)butan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 167957277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).