N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine

C20H17N3O — CID 8593214

IUPACN-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine
SMILESCN(Cc1nc(-c2ccccc2)no1)c1ccc2ccccc2c1
InChIInChI=1S/C20H17N3O/c1-23(18-12-11-15-7-5-6-10-17(15)13-18)14-19-21-20(22-24-19)16-8-3-2-4-9-16/h2-13H,14H2,1H3
InChIKeyRFWBPRRVWMCJBN-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.53
Rot. Bonds4

About N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine

N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine (PubChem CID 8593214) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine
PubChem CID8593214
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC NameN-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine
SMILESCN(Cc1nc(-c2ccccc2)no1)c1ccc2ccccc2c1
InChIInChI=1S/C20H17N3O/c1-23(18-12-11-15-7-5-6-10-17(15)13-18)14-19-21-20(22-24-19)16-8-3-2-4-9-16/h2-13H,14H2,1H3
InChIKeyRFWBPRRVWMCJBN-UHFFFAOYSA-N
XLogP4.53
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 86831668
N-methyl-2-naphthalen-2-yloxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 8874641
N,4-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 70757916
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 66188094
1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 42946170
N,3,4-trimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6462643
1-(3,4-dichlorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 9251541
4-methoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6461980
1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 8924238
2-ethyl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 70721651
1-(3,4-dimethoxyphenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 9058292
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylnaphthalene-2-carboxamide
CID 8836674

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine?
The IUPAC name of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine (CID 8593214) is N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine.
What is the SMILES notation for N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine?
The canonical SMILES for N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine is CN(Cc1nc(-c2ccccc2)no1)c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine?
The InChIKey is RFWBPRRVWMCJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-23(18-12-11-15-7-5-6-10-17(15)13-18)14-19-21-20(22-24-19)16-8-3-2-4-9-16/h2-13H,14H2,1H3.
What are the key properties of N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine?
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine has a molecular weight of 315.38 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]naphthalen-2-amine is sourced from PubChem (CID 8593214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).