N-[(1R)-1-naphthalen-1-ylethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine

C21H25N3O — CID 42624270

IUPACN-[(1R)-1-naphthalen-1-ylethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine
SMILESCC(C)c1noc(C2CC(N[C@H](C)c3cccc4ccccc34)C2)n1
InChIInChI=1S/C21H25N3O/c1-13(2)20-23-21(25-24-20)16-11-17(12-16)22-14(3)18-10-6-8-15-7-4-5-9-19(15)18/h4-10,13-14,16-17,22H,11-12H2,1-3H3/t14-,16?,17?/m1/s1
InChIKeyIKYIJDIACWWKMA-ODIFPOPNSA-N
MW335.45 g/mol
LogP4.94
Rot. Bonds5

About N-[(1R)-1-naphthalen-1-ylethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine

N-[(1R)-1-naphthalen-1-ylethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine (PubChem CID 42624270) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[(1R)-1-naphthalen-1-ylethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-naphthalen-1-ylethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine
PubChem CID42624270
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[(1R)-1-naphthalen-1-ylethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine
SMILESCC(C)c1noc(C2CC(N[C@H](C)c3cccc4ccccc34)C2)n1
InChIInChI=1S/C21H25N3O/c1-13(2)20-23-21(25-24-20)16-11-17(12-16)22-14(3)18-10-6-8-15-7-4-5-9-19(15)18/h4-10,13-14,16-17,22H,11-12H2,1-3H3/t14-,16?,17?/m1/s1
InChIKeyIKYIJDIACWWKMA-ODIFPOPNSA-N
XLogP4.94
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylcyclobutan-1-amine
CID 158787446
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclopentan-1-amine
CID 59617194
(3S)-3-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine
CID 143807888
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
N-[(1R)-1-naphthalen-1-ylethyl]azetidin-3-amine
CID 58973497
molecular hydrogen;N-[(1R)-1-naphthalen-1-ylethyl]cyclohexanamine
CID 143807841
(3S,5R)-5-methyl-N-(1-naphthalen-1-ylethyl)pyrrolidin-3-amine
CID 156776321
N-(1-naphthalen-1-ylethyl)-1,1-dioxothiolan-3-amine
CID 43177589
3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine
CID 68779176
3-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]cyclohexan-1-amine
CID 68781296
N-(1-naphthalen-1-ylethyl)-1,1-dioxothian-4-amine
CID 43511636
4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid
CID 68781148

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine?
The IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine (CID 42624270) is N-[(1R)-1-naphthalen-1-ylethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine.
What is the SMILES notation for N-[(1R)-1-naphthalen-1-ylethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine?
The canonical SMILES for N-[(1R)-1-naphthalen-1-ylethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine is CC(C)c1noc(C2CC(N[C@H](C)c3cccc4ccccc34)C2)n1.
What is the InChIKey of N-[(1R)-1-naphthalen-1-ylethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine?
The InChIKey is IKYIJDIACWWKMA-ODIFPOPNSA-N. The full InChI is InChI=1S/C21H25N3O/c1-13(2)20-23-21(25-24-20)16-11-17(12-16)22-14(3)18-10-6-8-15-7-4-5-9-19(15)18/h4-10,13-14,16-17,22H,11-12H2,1-3H3/t14-,16?,17?/m1/s1.
What are the key properties of N-[(1R)-1-naphthalen-1-ylethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine?
N-[(1R)-1-naphthalen-1-ylethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine has a molecular weight of 335.45 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-naphthalen-1-ylethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine is sourced from PubChem (CID 42624270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).