1-naphthalen-2-yl-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

C14H13N3O — CID 114183090

IUPAC1-naphthalen-2-yl-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESc1ccc2cc(CNCc3ncon3)ccc2c1
InChIInChI=1S/C14H13N3O/c1-2-4-13-7-11(5-6-12(13)3-1)8-15-9-14-16-10-18-17-14/h1-7,10,15H,8-9H2
InChIKeyFROPCMSLYKDFTQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.51
Rot. Bonds4

About 1-naphthalen-2-yl-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

1-naphthalen-2-yl-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (PubChem CID 114183090) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-naphthalen-2-yl-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-naphthalen-2-yl-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
PubChem CID114183090
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name1-naphthalen-2-yl-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESc1ccc2cc(CNCc3ncon3)ccc2c1
InChIInChI=1S/C14H13N3O/c1-2-4-13-7-11(5-6-12(13)3-1)8-15-9-14-16-10-18-17-14/h1-7,10,15H,8-9H2
InChIKeyFROPCMSLYKDFTQ-UHFFFAOYSA-N
XLogP2.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-phenylphenyl)methanamine
CID 106392234
1-(3-ethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106394000
N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine
CID 106398647
1-[4-(difluoromethyl)phenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 114182980
2-fluoro-4-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]benzoic acid
CID 106401821
1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392443
1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106393956
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-naphthalen-2-ylmethanamine
CID 134033259
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392909
N'-(naphthalen-2-ylmethyl)methanediamine
CID 115225812
(naphthalen-2-ylmethylamino)methanethiol
CID 115228012
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392778

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The IUPAC name of 1-naphthalen-2-yl-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (CID 114183090) is 1-naphthalen-2-yl-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-naphthalen-2-yl-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-naphthalen-2-yl-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is c1ccc2cc(CNCc3ncon3)ccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The InChIKey is FROPCMSLYKDFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-4-13-7-11(5-6-12(13)3-1)8-15-9-14-16-10-18-17-14/h1-7,10,15H,8-9H2.
What are the key properties of 1-naphthalen-2-yl-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
1-naphthalen-2-yl-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine has a molecular weight of 239.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is sourced from PubChem (CID 114183090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).