2,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazole-5-carboxamide

C9H11N5O2 — CID 79209532

IUPAC2,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2ncn[nH]2)o1
InChIInChI=1S/C9H11N5O2/c1-5-8(16-6(2)13-5)9(15)10-3-7-11-4-12-14-7/h4H,3H2,1-2H3,(H,10,15)(H,11,12,14)
InChIKeyNKKUFYGNWUHZHD-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.34
Rot. Bonds3

About 2,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazole-5-carboxamide (PubChem CID 79209532) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazole-5-carboxamide
PubChem CID79209532
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name2,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCc2ncn[nH]2)o1
InChIInChI=1S/C9H11N5O2/c1-5-8(16-6(2)13-5)9(15)10-3-7-11-4-12-14-7/h4H,3H2,1-2H3,(H,10,15)(H,11,12,14)
InChIKeyNKKUFYGNWUHZHD-UHFFFAOYSA-N
XLogP0.34
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
CID 60982681
3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883677
2,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-thiazole-4-carboxamide
CID 146121809
N-[[4-(hydroxymethyl)phenyl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 107231345
2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883827
N-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79883820
2,6-dichloro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 61041672
3-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369713
N-(2-methoxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684796
6-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 60981855
2,4-dimethyl-N-(1H-pyrazol-5-yl)-1,3-oxazole-5-carboxamide
CID 79194088
2-bromo-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 103854320

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazole-5-carboxamide (CID 79209532) is 2,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCc2ncn[nH]2)o1.
What is the InChIKey of 2,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is NKKUFYGNWUHZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-5-8(16-6(2)13-5)9(15)10-3-7-11-4-12-14-7/h4H,3H2,1-2H3,(H,10,15)(H,11,12,14).
What are the key properties of 2,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 221.22 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 79209532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).