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

C15H25N3O2 — CID 99632705

IUPAC(3S)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESC[C@@H](N[C@H]1CC(C)(C)OC1(C)C)c1nc(C2CC2)no1
InChIInChI=1S/C15H25N3O2/c1-9(13-17-12(18-19-13)10-6-7-10)16-11-8-14(2,3)20-15(11,4)5/h9-11,16H,6-8H2,1-5H3/t9-,11+/m1/s1
InChIKeySXOZLSXVZICMGI-KOLCDFICSA-N
MW279.38 g/mol
LogP2.94
Rot. Bonds4

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

(3S)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 99632705) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (3S)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID99632705
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(3S)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESC[C@@H](N[C@H]1CC(C)(C)OC1(C)C)c1nc(C2CC2)no1
InChIInChI=1S/C15H25N3O2/c1-9(13-17-12(18-19-13)10-6-7-10)16-11-8-14(2,3)20-15(11,4)5/h9-11,16H,6-8H2,1-5H3/t9-,11+/m1/s1
InChIKeySXOZLSXVZICMGI-KOLCDFICSA-N
XLogP2.94
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 99632704
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine
CID 64982322
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine
CID 59361300
3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole
CID 130649646
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethylethanamine
CID 64985920
3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole
CID 58051730
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346025
(1S)-1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899801
N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 63349207
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 86772863
N-[1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 65402819
3-cyclopropyl-N-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-amine
CID 130927334

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of (3S)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 99632705) is (3S)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for (3S)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for (3S)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine is C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)c1nc(C2CC2)no1.
What is the InChIKey of (3S)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is SXOZLSXVZICMGI-KOLCDFICSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-9(13-17-12(18-19-13)10-6-7-10)16-11-8-14(2,3)20-15(11,4)5/h9-11,16H,6-8H2,1-5H3/t9-,11+/m1/s1.
What are the key properties of (3S)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine?
(3S)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 279.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 99632705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).