(2S)-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol

C14H21N5O2 — CID 95766764

IUPAC(2S)-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESCCc1nc([C@@H]2CCCN2C[C@H](O)Cn2cccn2)no1
InChIInChI=1S/C14H21N5O2/c1-2-13-16-14(17-21-13)12-5-3-7-18(12)9-11(20)10-19-8-4-6-15-19/h4,6,8,11-12,20H,2-3,5,7,9-10H2,1H3/t11-,12-/m0/s1
InChIKeyZZSDRINNINLFBN-RYUDHWBXSA-N
MW291.35 g/mol
LogP1.03
Rot. Bonds6

About (2S)-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol

(2S)-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 95766764) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
PubChem CID95766764
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name(2S)-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESCCc1nc([C@@H]2CCCN2C[C@H](O)Cn2cccn2)no1
InChIInChI=1S/C14H21N5O2/c1-2-13-16-14(17-21-13)12-5-3-7-18(12)9-11(20)10-19-8-4-6-15-19/h4,6,8,11-12,20H,2-3,5,7,9-10H2,1H3/t11-,12-/m0/s1
InChIKeyZZSDRINNINLFBN-RYUDHWBXSA-N
XLogP1.03
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-pyrazol-1-yl-3-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-ol
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1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
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(2S)-1-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95780183
5-ethyl-3-[(2S)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 129490469
1-[2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one
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CID 95763147
(2R)-1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95312285
2-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 98772070
2-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 95766273
(2R)-1-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 124786448
3-cyclopropyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95323445

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol (CID 95766764) is (2S)-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol is CCc1nc([C@@H]2CCCN2C[C@H](O)Cn2cccn2)no1.
What is the InChIKey of (2S)-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is ZZSDRINNINLFBN-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-2-13-16-14(17-21-13)12-5-3-7-18(12)9-11(20)10-19-8-4-6-15-19/h4,6,8,11-12,20H,2-3,5,7,9-10H2,1H3/t11-,12-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
(2S)-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 291.35 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 95766764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).