N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylnaphthalene-1-carboxamide

C23H21N3O2 — CID 8836130

IUPACN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylnaphthalene-1-carboxamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C23H21N3O2/c1-16(2)26(15-21-24-22(25-28-21)18-10-4-3-5-11-18)23(27)20-14-8-12-17-9-6-7-13-19(17)20/h3-14,16H,15H2,1-2H3
InChIKeyHCRRWSOTYQLFHS-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.94
Rot. Bonds5

About N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylnaphthalene-1-carboxamide

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylnaphthalene-1-carboxamide (PubChem CID 8836130) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylnaphthalene-1-carboxamide
PubChem CID8836130
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylnaphthalene-1-carboxamide
SMILESCC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C23H21N3O2/c1-16(2)26(15-21-24-22(25-28-21)18-10-4-3-5-11-18)23(27)20-14-8-12-17-9-6-7-13-19(17)20/h3-14,16H,15H2,1-2H3
InChIKeyHCRRWSOTYQLFHS-UHFFFAOYSA-N
XLogP4.94
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl-propan-2-ylcarbamoyl]phenyl] acetate
CID 2994652
4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
CID 2227137
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenyl-N-propan-2-ylbenzamide
CID 17358753
2-chloro-4-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
CID 17020222
2,3-dimethoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 3164402
5-bromo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 2055188
2,3-dimethoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 2980615
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylnaphthalene-2-carboxamide
CID 8836674
4-butoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylbenzamide
CID 2977160
2-(4-methylphenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylacetamide
CID 2997415
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-phenylphenyl)-N-propan-2-ylacetamide
CID 17020197
2-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 6494665

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylnaphthalene-1-carboxamide?
The IUPAC name of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylnaphthalene-1-carboxamide (CID 8836130) is N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylnaphthalene-1-carboxamide.
What is the SMILES notation for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylnaphthalene-1-carboxamide?
The canonical SMILES for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylnaphthalene-1-carboxamide is CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc2ccccc12.
What is the InChIKey of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylnaphthalene-1-carboxamide?
The InChIKey is HCRRWSOTYQLFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16(2)26(15-21-24-22(25-28-21)18-10-4-3-5-11-18)23(27)20-14-8-12-17-9-6-7-13-19(17)20/h3-14,16H,15H2,1-2H3.
What are the key properties of N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylnaphthalene-1-carboxamide?
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylnaphthalene-1-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-propan-2-ylnaphthalene-1-carboxamide is sourced from PubChem (CID 8836130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).