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

C13H19N5O2 — CID 64511025

IUPACN,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1nc(CN(C)C(=O)c2c(C)noc2C(C)C)n[nH]1
InChIInChI=1S/C13H19N5O2/c1-7(2)12-11(8(3)17-20-12)13(19)18(5)6-10-14-9(4)15-16-10/h7H,6H2,1-5H3,(H,14,15,16)
InChIKeyHIDIQDSPMUQSNR-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.81
Rot. Bonds4

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

N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 64511025) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID64511025
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC NameN,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1nc(CN(C)C(=O)c2c(C)noc2C(C)C)n[nH]1
InChIInChI=1S/C13H19N5O2/c1-7(2)12-11(8(3)17-20-12)13(19)18(5)6-10-14-9(4)15-16-10/h7H,6H2,1-5H3,(H,14,15,16)
InChIKeyHIDIQDSPMUQSNR-UHFFFAOYSA-N
XLogP1.81
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 64511025) is N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1nc(CN(C)C(=O)c2c(C)noc2C(C)C)n[nH]1.
What is the InChIKey of N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is HIDIQDSPMUQSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-7(2)12-11(8(3)17-20-12)13(19)18(5)6-10-14-9(4)15-16-10/h7H,6H2,1-5H3,(H,14,15,16).
What are the key properties of N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 64511025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).