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

C16H29N3O2 — CID 104612019

IUPAC1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1nc(C2(OC)CCCC2)no1)C(C)C
InChIInChI=1S/C16H29N3O2/c1-5-10-17-13(12(2)3)11-14-18-15(19-21-14)16(20-4)8-6-7-9-16/h12-13,17H,5-11H2,1-4H3
InChIKeyJPWGGGZFUNDBRV-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.05
Rot. Bonds8

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

1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine (PubChem CID 104612019) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
PubChem CID104612019
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1nc(C2(OC)CCCC2)no1)C(C)C
InChIInChI=1S/C16H29N3O2/c1-5-10-17-13(12(2)3)11-14-18-15(19-21-14)16(20-4)8-6-7-9-16/h12-13,17H,5-11H2,1-4H3
InChIKeyJPWGGGZFUNDBRV-UHFFFAOYSA-N
XLogP3.05
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]cyclopentanecarboxamide
CID 72019459
N-[2-[5-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 126803296
N-ethyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 103151031
N-methyl-2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 103151032
2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylcyclopentan-1-amine
CID 103151059
2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclopentan-1-amine
CID 103151078
2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 103151079
3-Methyl-1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103472655
3-Methyl-1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103473064
N-ethyl-4-methyl-3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103476820
1-cyclopropyl-N-methyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 103476821
N,3-dimethyl-1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103476824

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine?
The IUPAC name of 1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine (CID 104612019) is 1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine?
The canonical SMILES for 1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine is CCCNC(Cc1nc(C2(OC)CCCC2)no1)C(C)C.
What is the InChIKey of 1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine?
The InChIKey is JPWGGGZFUNDBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-5-10-17-13(12(2)3)11-14-18-15(19-21-14)16(20-4)8-6-7-9-16/h12-13,17H,5-11H2,1-4H3.
What are the key properties of 1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine?
1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine has a molecular weight of 295.43 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine is sourced from PubChem (CID 104612019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).