1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol

C11H17N3O2 — CID 103728887

IUPAC1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C11H17N3O2/c1-11(15)4-5-14(7-11)6-9-12-10(16-13-9)8-2-3-8/h8,15H,2-7H2,1H3
InChIKeyNNDKNGVRGUSPBU-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.90
Rot. Bonds3

About 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol

1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol (PubChem CID 103728887) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol
PubChem CID103728887
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C11H17N3O2/c1-11(15)4-5-14(7-11)6-9-12-10(16-13-9)8-2-3-8/h8,15H,2-7H2,1H3
InChIKeyNNDKNGVRGUSPBU-UHFFFAOYSA-N
XLogP0.90
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55164811
1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol
CID 56906304
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137128
[(3S)-3-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanol
CID 97128686
4-(4-chlorophenyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-ol
CID 91839373
(3S,4R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 115278431
3-methyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 113343938
11-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane
CID 86788406
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 62372084
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-3-ol
CID 115873831
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane
CID 128704180
(5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97115757

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol (CID 103728887) is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol is CC1(O)CCN(Cc2noc(C3CC3)n2)C1.
What is the InChIKey of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol?
The InChIKey is NNDKNGVRGUSPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(15)4-5-14(7-11)6-9-12-10(16-13-9)8-2-3-8/h8,15H,2-7H2,1H3.
What are the key properties of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol?
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol has a molecular weight of 223.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103728887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).