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

C9H11N5O2 — CID 64510059

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCc1nc(CN(C)C(=O)c2ccno2)n[nH]1
InChIInChI=1S/C9H11N5O2/c1-6-11-8(13-12-6)5-14(2)9(15)7-3-4-10-16-7/h3-4H,5H2,1-2H3,(H,11,12,13)
InChIKeyZKAZFUDPDBXKAC-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.37
Rot. Bonds3

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

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 64510059) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID64510059
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESCc1nc(CN(C)C(=O)c2ccno2)n[nH]1
InChIInChI=1S/C9H11N5O2/c1-6-11-8(13-12-6)5-14(2)9(15)7-3-4-10-16-7/h3-4H,5H2,1-2H3,(H,11,12,13)
InChIKeyZKAZFUDPDBXKAC-UHFFFAOYSA-N
XLogP0.37
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide (CID 64510059) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide is Cc1nc(CN(C)C(=O)c2ccno2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is ZKAZFUDPDBXKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-6-11-8(13-12-6)5-14(2)9(15)7-3-4-10-16-7/h3-4H,5H2,1-2H3,(H,11,12,13).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 221.22 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 64510059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).