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

C14H23N5O2 — CID 131927657

IUPAC2-[3-methyl-4-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN(C)Cc1nc(C(C)C)no1
InChIInChI=1S/C14H23N5O2/c1-10(2)14-15-13(21-17-14)9-18(4)7-12-8-19(5-6-20)16-11(12)3/h8,10,20H,5-7,9H2,1-4H3
InChIKeyXTOCDHWMCKSXSL-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.32
Rot. Bonds7

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

2-[3-methyl-4-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol (PubChem CID 131927657) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[3-methyl-4-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-methyl-4-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol
PubChem CID131927657
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2-[3-methyl-4-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN(C)Cc1nc(C(C)C)no1
InChIInChI=1S/C14H23N5O2/c1-10(2)14-15-13(21-17-14)9-18(4)7-12-8-19(5-6-20)16-11(12)3/h8,10,20H,5-7,9H2,1-4H3
InChIKeyXTOCDHWMCKSXSL-UHFFFAOYSA-N
XLogP1.32
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.32
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-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-methyl-4-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol (CID 131927657) is 2-[3-methyl-4-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-methyl-4-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-methyl-4-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)cc1CN(C)Cc1nc(C(C)C)no1.
What is the InChIKey of 2-[3-methyl-4-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is XTOCDHWMCKSXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10(2)14-15-13(21-17-14)9-18(4)7-12-8-19(5-6-20)16-11(12)3/h8,10,20H,5-7,9H2,1-4H3.
What are the key properties of 2-[3-methyl-4-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol?
2-[3-methyl-4-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 293.37 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 131927657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).