N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)-1H-1,2,4-triazole-5-carboxamide

C20H13N5O2 — CID 2211247

IUPACN-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ncn[nH]1
InChIInChI=1S/C20H13N5O2/c26-19(18-21-11-22-25-18)23-13-8-9-17-16(10-13)24-20(27-17)15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H,23,26)(H,21,22,25)
InChIKeyWDSLCEDNJCJNNN-UHFFFAOYSA-N
MW355.36 g/mol
LogP4.02
Rot. Bonds3

About N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)-1H-1,2,4-triazole-5-carboxamide

N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 2211247) has the molecular formula C20H13N5O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID2211247
Molecular FormulaC20H13N5O2
Molecular Weight355.36 g/mol
Exact Mass355.11
IUPAC NameN-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ncn[nH]1
InChIInChI=1S/C20H13N5O2/c26-19(18-21-11-22-25-18)23-13-8-9-17-16(10-13)24-20(27-17)15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H,23,26)(H,21,22,25)
InChIKeyWDSLCEDNJCJNNN-UHFFFAOYSA-N
XLogP4.02
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)-1H-1,2,4-triazole-5-carboxamide (CID 2211247) is N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)-1H-1,2,4-triazole-5-carboxamide is O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ncn[nH]1.
What is the InChIKey of N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is WDSLCEDNJCJNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O2/c26-19(18-21-11-22-25-18)23-13-8-9-17-16(10-13)24-20(27-17)15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H,23,26)(H,21,22,25).
What are the key properties of N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)-1H-1,2,4-triazole-5-carboxamide?
N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 355.36 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 2211247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).