1-(2-chlorophenyl)-5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,4-triazole-3-carboxamide

C19H14ClN5O2 — CID 86867791

IUPAC1-(2-chlorophenyl)-5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(-c3cnco3)cc2)nn1-c1ccccc1Cl
InChIInChI=1S/C19H14ClN5O2/c1-12-22-18(24-25(12)16-5-3-2-4-15(16)20)19(26)23-14-8-6-13(7-9-14)17-10-21-11-27-17/h2-11H,1H3,(H,23,26)
InChIKeyLLFSHCFEYXPKMI-UHFFFAOYSA-N
MW379.81 g/mol
LogP4.14
Rot. Bonds4

About 1-(2-chlorophenyl)-5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,4-triazole-3-carboxamide

1-(2-chlorophenyl)-5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,4-triazole-3-carboxamide (PubChem CID 86867791) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,4-triazole-3-carboxamide
PubChem CID86867791
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC Name1-(2-chlorophenyl)-5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(-c3cnco3)cc2)nn1-c1ccccc1Cl
InChIInChI=1S/C19H14ClN5O2/c1-12-22-18(24-25(12)16-5-3-2-4-15(16)20)19(26)23-14-8-6-13(7-9-14)17-10-21-11-27-17/h2-11H,1H3,(H,23,26)
InChIKeyLLFSHCFEYXPKMI-UHFFFAOYSA-N
XLogP4.14
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,4-triazole-3-carboxamide (CID 86867791) is 1-(2-chlorophenyl)-5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)Nc2ccc(-c3cnco3)cc2)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is LLFSHCFEYXPKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c1-12-22-18(24-25(12)16-5-3-2-4-15(16)20)19(26)23-14-8-6-13(7-9-14)17-10-21-11-27-17/h2-11H,1H3,(H,23,26).
What are the key properties of 1-(2-chlorophenyl)-5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,4-triazole-3-carboxamide?
1-(2-chlorophenyl)-5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 379.81 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 86867791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).