N-[[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine

C14H21N3O — CID 113383371

IUPACN-[[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine
SMILESC(NCC1CC1)c1nc(C2CC3CCC2C3)no1
InChIInChI=1S/C14H21N3O/c1-2-9(1)7-15-8-13-16-14(17-18-13)12-6-10-3-4-11(12)5-10/h9-12,15H,1-8H2
InChIKeyCEQVGNPEHWKNSW-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.47
Rot. Bonds5

About N-[[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine

N-[[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine (PubChem CID 113383371) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine.

Molecular Properties

Compound NameN-[[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine
PubChem CID113383371
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine
SMILESC(NCC1CC1)c1nc(C2CC3CCC2C3)no1
InChIInChI=1S/C14H21N3O/c1-2-9(1)7-15-8-13-16-14(17-18-13)12-6-10-3-4-11(12)5-10/h9-12,15H,1-8H2
InChIKeyCEQVGNPEHWKNSW-UHFFFAOYSA-N
XLogP2.47
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine with MolForge

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Related Compounds

2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 113383365
3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 113383352
5-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 113383370
1-cyclopropyl-N-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 65424036
2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813532
5-amino-2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136847082
5-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706931
1-cyclopropyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 43655518
1-cyclopropyl-N-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 116807359
2-[5-[(cyclopropylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine
CID 43655469
N-[[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine
CID 65133564
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275478

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine?
The IUPAC name of N-[[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine (CID 113383371) is N-[[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine.
What is the SMILES notation for N-[[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine?
The canonical SMILES for N-[[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine is C(NCC1CC1)c1nc(C2CC3CCC2C3)no1.
What is the InChIKey of N-[[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine?
The InChIKey is CEQVGNPEHWKNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-9(1)7-15-8-13-16-14(17-18-13)12-6-10-3-4-11(12)5-10/h9-12,15H,1-8H2.
What are the key properties of N-[[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine?
N-[[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine has a molecular weight of 247.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine is sourced from PubChem (CID 113383371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).