N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide

C15H18N4O2 — CID 131943131

IUPACN-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide
SMILESCc1c(NC(=O)C2CCOC2)cccc1-c1nncn1C
InChIInChI=1S/C15H18N4O2/c1-10-12(14-18-16-9-19(14)2)4-3-5-13(10)17-15(20)11-6-7-21-8-11/h3-5,9,11H,6-8H2,1-2H3,(H,17,20)
InChIKeyBOZWMDJNFZPZAQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.77
Rot. Bonds3

About N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide

N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide (PubChem CID 131943131) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide
PubChem CID131943131
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide
SMILESCc1c(NC(=O)C2CCOC2)cccc1-c1nncn1C
InChIInChI=1S/C15H18N4O2/c1-10-12(14-18-16-9-19(14)2)4-3-5-13(10)17-15(20)11-6-7-21-8-11/h3-5,9,11H,6-8H2,1-2H3,(H,17,20)
InChIKeyBOZWMDJNFZPZAQ-UHFFFAOYSA-N
XLogP1.77
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-([1,2,4]triazolo[4,3-a]pyridin-8-yl)oxolane-3-carboxamide
CID 53166257
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 63007220
N-[2-methyl-3-(1,3-oxazol-2-yl)phenyl]oxane-3-carboxamide
CID 122158768
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
CID 43706685
N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 154912762
1-methyl-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 126423852
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 43706680
N-(2,3-dimethylphenyl)oxane-4-carboxamide
CID 31962553
2-(cyclopropylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60842162
(3S)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]oxolane-3-carboxamide
CID 99876961
N-(2,3-dichlorophenyl)oxolane-3-carboxamide
CID 75921085
3-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide
CID 64894160

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide?
The IUPAC name of N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide (CID 131943131) is N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide is Cc1c(NC(=O)C2CCOC2)cccc1-c1nncn1C.
What is the InChIKey of N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide?
The InChIKey is BOZWMDJNFZPZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-12(14-18-16-9-19(14)2)4-3-5-13(10)17-15(20)11-6-7-21-8-11/h3-5,9,11H,6-8H2,1-2H3,(H,17,20).
What are the key properties of N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide?
N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 131943131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).