[2,4,6-trimethyl-3-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methanol

C18H25N3O2 — CID 46984600

IUPAC[2,4,6-trimethyl-3-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
SMILESCc1cc(C)c(CN2CCCC2c2nonc2C)c(C)c1CO
InChIInChI=1S/C18H25N3O2/c1-11-8-12(2)16(10-22)13(3)15(11)9-21-7-5-6-17(21)18-14(4)19-23-20-18/h8,17,22H,5-7,9-10H2,1-4H3
InChIKeyGCPHHWMJTOMQST-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.13
Rot. Bonds4

About [2,4,6-trimethyl-3-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methanol

[2,4,6-trimethyl-3-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methanol (PubChem CID 46984600) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is [2,4,6-trimethyl-3-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2,4,6-trimethyl-3-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
PubChem CID46984600
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name[2,4,6-trimethyl-3-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
SMILESCc1cc(C)c(CN2CCCC2c2nonc2C)c(C)c1CO
InChIInChI=1S/C18H25N3O2/c1-11-8-12(2)16(10-22)13(3)15(11)9-21-7-5-6-17(21)18-14(4)19-23-20-18/h8,17,22H,5-7,9-10H2,1-4H3
InChIKeyGCPHHWMJTOMQST-UHFFFAOYSA-N
XLogP3.13
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2,4,6-trimethyl-3-[[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 52380057
[2,4,6-trimethyl-3-[[(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 52380059
[3-[[(4-Methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenyl]methanol
CID 107230713
[4-[[(4-Methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenyl]methanol
CID 113933882
(3R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpyrrolidin-3-ol
CID 129609929
(3S)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpyrrolidin-3-ol
CID 129609930
1-[(4-Methyl-1,2,5-oxadiazol-3-YL)methyl]-3-phenylpyrrolidin-3-OL
CID 131896488

Frequently Asked Questions

What is the IUPAC name of [2,4,6-trimethyl-3-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methanol?
The IUPAC name of [2,4,6-trimethyl-3-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methanol (CID 46984600) is [2,4,6-trimethyl-3-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [2,4,6-trimethyl-3-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [2,4,6-trimethyl-3-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methanol is Cc1cc(C)c(CN2CCCC2c2nonc2C)c(C)c1CO.
What is the InChIKey of [2,4,6-trimethyl-3-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methanol?
The InChIKey is GCPHHWMJTOMQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-11-8-12(2)16(10-22)13(3)15(11)9-21-7-5-6-17(21)18-14(4)19-23-20-18/h8,17,22H,5-7,9-10H2,1-4H3.
What are the key properties of [2,4,6-trimethyl-3-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methanol?
[2,4,6-trimethyl-3-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methanol has a molecular weight of 315.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,6-trimethyl-3-[[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 46984600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).