1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol

C12H15N3O2 — CID 79107387

IUPAC1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol
SMILESCC(O)c1cccn1Cc1nc(C2CC2)no1
InChIInChI=1S/C12H15N3O2/c1-8(16)10-3-2-6-15(10)7-11-13-12(14-17-11)9-4-5-9/h2-3,6,8-9,16H,4-5,7H2,1H3
InChIKeyRJOZHVAOHYWQQG-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.85
Rot. Bonds4

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

1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol (PubChem CID 79107387) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol
PubChem CID79107387
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol
SMILESCC(O)c1cccn1Cc1nc(C2CC2)no1
InChIInChI=1S/C12H15N3O2/c1-8(16)10-3-2-6-15(10)7-11-13-12(14-17-11)9-4-5-9/h2-3,6,8-9,16H,4-5,7H2,1H3
InChIKeyRJOZHVAOHYWQQG-UHFFFAOYSA-N
XLogP1.85
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyclopropylethyl)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 75372439
N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66402636
(1R)-2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95309336
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 61496080
(1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 78931160
ethyl 1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421740
3-cyclopropyl-5-[(5-methoxyindol-1-yl)methyl]-1,2,4-oxadiazole
CID 115619569
(1S)-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 63364095
3-cyclopropyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 112728287
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345119
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethanamine
CID 55216293
1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-phenylpropan-1-one
CID 87053136

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol?
The IUPAC name of 1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol (CID 79107387) is 1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol.
What is the SMILES notation for 1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol?
The canonical SMILES for 1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol is CC(O)c1cccn1Cc1nc(C2CC2)no1.
What is the InChIKey of 1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol?
The InChIKey is RJOZHVAOHYWQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(16)10-3-2-6-15(10)7-11-13-12(14-17-11)9-4-5-9/h2-3,6,8-9,16H,4-5,7H2,1H3.
What are the key properties of 1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol?
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol has a molecular weight of 233.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-2-yl]ethanol is sourced from PubChem (CID 79107387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).