(4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2,2-dimethyloxan-4-amine

C15H25N3O2 — CID 129345216

IUPAC(4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2,2-dimethyloxan-4-amine
SMILESCCN(Cc1nc(C2CC2)no1)[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C15H25N3O2/c1-4-18(12-7-8-19-15(2,3)9-12)10-13-16-14(17-20-13)11-5-6-11/h11-12H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyXOKOVQJBYFFQRW-LBPRGKRZSA-N
MW279.38 g/mol
LogP2.73
Rot. Bonds5

About (4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2,2-dimethyloxan-4-amine

(4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2,2-dimethyloxan-4-amine (PubChem CID 129345216) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound Name(4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2,2-dimethyloxan-4-amine
PubChem CID129345216
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2,2-dimethyloxan-4-amine
SMILESCCN(Cc1nc(C2CC2)no1)[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C15H25N3O2/c1-4-18(12-7-8-19-15(2,3)9-12)10-13-16-14(17-20-13)11-5-6-11/h11-12H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyXOKOVQJBYFFQRW-LBPRGKRZSA-N
XLogP2.73
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2,2-dimethyloxan-4-amine with MolForge

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Related Compounds

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylcyclohexanamine
CID 47025097
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,2-dimethyloxan-4-yl)-N-methylmethanamine
CID 77083073
(4S)-N-ethyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyloxan-4-amine
CID 99933859
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylbutan-2-yl)cyclopropanamine
CID 47027367
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 86923328
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-4-fluoroaniline
CID 75415876
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine
CID 51078845
N-ethyl-N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-2,2-dimethyloxan-4-amine
CID 167991537
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanethiol
CID 170202003
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 56811259
3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 47022082
(3R)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 36722761

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2,2-dimethyloxan-4-amine?
The IUPAC name of (4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2,2-dimethyloxan-4-amine (CID 129345216) is (4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2,2-dimethyloxan-4-amine.
What is the SMILES notation for (4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2,2-dimethyloxan-4-amine?
The canonical SMILES for (4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2,2-dimethyloxan-4-amine is CCN(Cc1nc(C2CC2)no1)[C@H]1CCOC(C)(C)C1.
What is the InChIKey of (4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2,2-dimethyloxan-4-amine?
The InChIKey is XOKOVQJBYFFQRW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-18(12-7-8-19-15(2,3)9-12)10-13-16-14(17-20-13)11-5-6-11/h11-12H,4-10H2,1-3H3/t12-/m0/s1.
What are the key properties of (4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2,2-dimethyloxan-4-amine?
(4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2,2-dimethyloxan-4-amine has a molecular weight of 279.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 129345216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).