N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-1-carboxamide

C14H11N3O2 — CID 17013311

IUPACN-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-1-carboxamide
SMILESCc1nonc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C14H11N3O2/c1-9-13(17-19-16-9)15-14(18)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,15,17,18)
InChIKeyCITKWJOQKYUTJZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.78
Rot. Bonds2

About N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-1-carboxamide

N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-1-carboxamide (PubChem CID 17013311) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-1-carboxamide
PubChem CID17013311
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC NameN-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-1-carboxamide
SMILESCc1nonc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C14H11N3O2/c1-9-13(17-19-16-9)15-14(18)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,15,17,18)
InChIKeyCITKWJOQKYUTJZ-UHFFFAOYSA-N
XLogP2.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-1-carboxamide (CID 17013311) is N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-1-carboxamide is Cc1nonc1NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-1-carboxamide?
The InChIKey is CITKWJOQKYUTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-13(17-19-16-9)15-14(18)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,15,17,18).
What are the key properties of N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-1-carboxamide?
N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-1-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,2,5-oxadiazol-3-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 17013311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).