N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-2-carboxamide

C23H21N3O2 — CID 17171735

IUPACN-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-2-carboxamide
SMILESCC(C)(C)c1nnc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)o1
InChIInChI=1S/C23H21N3O2/c1-23(2,3)22-26-25-21(28-22)16-10-12-19(13-11-16)24-20(27)18-9-8-15-6-4-5-7-17(15)14-18/h4-14H,1-3H3,(H,24,27)
InChIKeyCQMVJZSSKPGKAH-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.44
Rot. Bonds3

About N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-2-carboxamide

N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-2-carboxamide (PubChem CID 17171735) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-2-carboxamide
PubChem CID17171735
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-2-carboxamide
SMILESCC(C)(C)c1nnc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)o1
InChIInChI=1S/C23H21N3O2/c1-23(2,3)22-26-25-21(28-22)16-10-12-19(13-11-16)24-20(27)18-9-8-15-6-4-5-7-17(15)14-18/h4-14H,1-3H3,(H,24,27)
InChIKeyCQMVJZSSKPGKAH-UHFFFAOYSA-N
XLogP5.44
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 16821911
N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methylbenzamide
CID 17171702
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43975665
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43978018
N-[5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 41227030
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216
N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3,5-dichloro-2-methoxybenzamide
CID 17171831
N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24676924
3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 110725536
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phosphanylbenzamide
CID 170150882

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-2-carboxamide (CID 17171735) is N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-2-carboxamide is CC(C)(C)c1nnc(-c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)o1.
What is the InChIKey of N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-2-carboxamide?
The InChIKey is CQMVJZSSKPGKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-23(2,3)22-26-25-21(28-22)16-10-12-19(13-11-16)24-20(27)18-9-8-15-6-4-5-7-17(15)14-18/h4-14H,1-3H3,(H,24,27).
What are the key properties of N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-2-carboxamide?
N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 17171735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).