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

C20H14ClN3O2 — CID 8836688

IUPACN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]naphthalene-2-carboxamide
SMILESO=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc2ccccc2c1
InChIInChI=1S/C20H14ClN3O2/c21-17-9-7-14(8-10-17)19-23-18(26-24-19)12-22-20(25)16-6-5-13-3-1-2-4-15(13)11-16/h1-11H,12H2,(H,22,25)
InChIKeyWYTXDNADLZCMIC-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.47
Rot. Bonds4

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

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]naphthalene-2-carboxamide (PubChem CID 8836688) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]naphthalene-2-carboxamide
PubChem CID8836688
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]naphthalene-2-carboxamide
SMILESO=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc2ccccc2c1
InChIInChI=1S/C20H14ClN3O2/c21-17-9-7-14(8-10-17)19-23-18(26-24-19)12-22-20(25)16-6-5-13-3-1-2-4-15(13)11-16/h1-11H,12H2,(H,22,25)
InChIKeyWYTXDNADLZCMIC-UHFFFAOYSA-N
XLogP4.47
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 4897476
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 2231244
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100682921
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)benzamide
CID 86957953
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2-dimethylpropanamide
CID 2991645
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-ethylurea
CID 6463409
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenoxypropanamide
CID 110323125
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(2-cyanophenoxy)methyl]benzamide
CID 86957972
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide
CID 86957867
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 83289940
4-chloro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitrobenzamide
CID 8836781

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]naphthalene-2-carboxamide (CID 8836688) is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]naphthalene-2-carboxamide is O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc2ccccc2c1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]naphthalene-2-carboxamide?
The InChIKey is WYTXDNADLZCMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c21-17-9-7-14(8-10-17)19-23-18(26-24-19)12-22-20(25)16-6-5-13-3-1-2-4-15(13)11-16/h1-11H,12H2,(H,22,25).
What are the key properties of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]naphthalene-2-carboxamide?
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]naphthalene-2-carboxamide has a molecular weight of 363.80 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 8836688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).