(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine

C18H27N5O2 — CID 96511957

IUPAC(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
SMILESCc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CN[C@@H](C)c1nc(C2CC2)no1
InChIInChI=1S/C18H27N5O2/c1-10-15(12(3)23(4)21-10)16-14(7-8-24-16)9-19-11(2)18-20-17(22-25-18)13-5-6-13/h11,13-14,16,19H,5-9H2,1-4H3/t11-,14+,16+/m0/s1
InChIKeyOWNKOCYLOXODEK-SGIREYDYSA-N
MW345.45 g/mol
LogP2.73
Rot. Bonds6

About (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine

(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine (PubChem CID 96511957) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
PubChem CID96511957
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
SMILESCc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CN[C@@H](C)c1nc(C2CC2)no1
InChIInChI=1S/C18H27N5O2/c1-10-15(12(3)23(4)21-10)16-14(7-8-24-16)9-19-11(2)18-20-17(22-25-18)13-5-6-13/h11,13-14,16,19H,5-9H2,1-4H3/t11-,14+,16+/m0/s1
InChIKeyOWNKOCYLOXODEK-SGIREYDYSA-N
XLogP2.73
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1R)-1-(4-chlorophenyl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
CID 129461370
(1S)-1-(2,4-difluorophenyl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
CID 96511973
(1R)-1-(2,4-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
CID 129461358
(1R)-1-(2,5-difluorophenyl)-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
CID 129461360
(1R)-1-(2,4-difluorophenyl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine
CID 129461359
N-(thiophen-2-ylmethyl)-1-[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 95778536
N-(thiophen-2-ylmethyl)-1-[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 95778537
3-cyclopropyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1,2,4-thiadiazol-5-amine
CID 128974300
2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 122235494
N-[(1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 95778546
N-(1,3-benzodioxol-4-ylmethyl)-1-[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 95778524
[5-[[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]furan-2-yl]methanol
CID 95778532

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine (CID 96511957) is (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine is Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CN[C@@H](C)c1nc(C2CC2)no1.
What is the InChIKey of (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is OWNKOCYLOXODEK-SGIREYDYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-10-15(12(3)23(4)21-10)16-14(7-8-24-16)9-19-11(2)18-20-17(22-25-18)13-5-6-13/h11,13-14,16,19H,5-9H2,1-4H3/t11-,14+,16+/m0/s1.
What are the key properties of (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine?
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 345.45 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[[(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 96511957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).