1-tert-butyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,2,4-triazole-3-carboxamide

C17H19N5O2 — CID 126816541

IUPAC1-tert-butyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,2,4-triazole-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3ncn(C(C)(C)C)n3)cc2)co1
InChIInChI=1S/C17H19N5O2/c1-11-19-14(9-24-11)12-5-7-13(8-6-12)20-16(23)15-18-10-22(21-15)17(2,3)4/h5-10H,1-4H3,(H,20,23)
InChIKeyGTOPJPMZFVANNJ-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.25
Rot. Bonds3

About 1-tert-butyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,2,4-triazole-3-carboxamide

1-tert-butyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,2,4-triazole-3-carboxamide (PubChem CID 126816541) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-tert-butyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,2,4-triazole-3-carboxamide
PubChem CID126816541
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-tert-butyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,2,4-triazole-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3ncn(C(C)(C)C)n3)cc2)co1
InChIInChI=1S/C17H19N5O2/c1-11-19-14(9-24-11)12-5-7-13(8-6-12)20-16(23)15-18-10-22(21-15)17(2,3)4/h5-10H,1-4H3,(H,20,23)
InChIKeyGTOPJPMZFVANNJ-UHFFFAOYSA-N
XLogP3.25
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide
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4-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide
CID 80543333
4-(2-methyl-1,3-oxazol-4-yl)-N-propylaniline
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tert-butyl 4-[(1-tert-butyl-1,2,4-triazole-3-carbonyl)amino]pyridine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,2,4-triazole-3-carboxamide (CID 126816541) is 1-tert-butyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,2,4-triazole-3-carboxamide is Cc1nc(-c2ccc(NC(=O)c3ncn(C(C)(C)C)n3)cc2)co1.
What is the InChIKey of 1-tert-butyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is GTOPJPMZFVANNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-19-14(9-24-11)12-5-7-13(8-6-12)20-16(23)15-18-10-22(21-15)17(2,3)4/h5-10H,1-4H3,(H,20,23).
What are the key properties of 1-tert-butyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,2,4-triazole-3-carboxamide?
1-tert-butyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 126816541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).