2-[3-methyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol

C16H25N5O2 — CID 70718473

IUPAC2-[3-methyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN1CCCC1c1nc(C(C)C)no1
InChIInChI=1S/C16H25N5O2/c1-11(2)15-17-16(23-19-15)14-5-4-6-20(14)9-13-10-21(7-8-22)18-12(13)3/h10-11,14,22H,4-9H2,1-3H3
InChIKeyAOTPWDSCMWVNQJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.03
Rot. Bonds6

About 2-[3-methyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol

2-[3-methyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol (PubChem CID 70718473) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[3-methyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-methyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol
PubChem CID70718473
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name2-[3-methyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN1CCCC1c1nc(C(C)C)no1
InChIInChI=1S/C16H25N5O2/c1-11(2)15-17-16(23-19-15)14-5-4-6-20(14)9-13-10-21(7-8-22)18-12(13)3/h10-11,14,22H,4-9H2,1-3H3
InChIKeyAOTPWDSCMWVNQJ-UHFFFAOYSA-N
XLogP2.03
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-methyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol (CID 70718473) is 2-[3-methyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-methyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-methyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)cc1CN1CCCC1c1nc(C(C)C)no1.
What is the InChIKey of 2-[3-methyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The InChIKey is AOTPWDSCMWVNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11(2)15-17-16(23-19-15)14-5-4-6-20(14)9-13-10-21(7-8-22)18-12(13)3/h10-11,14,22H,4-9H2,1-3H3.
What are the key properties of 2-[3-methyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol?
2-[3-methyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol has a molecular weight of 319.41 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 70718473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).