4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]phenol

C13H15N3O2 — CID 135983656

IUPAC4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCC1CNCC1c1nc(-c2ccc(O)cc2)no1
InChIInChI=1S/C13H15N3O2/c1-8-6-14-7-11(8)13-15-12(16-18-13)9-2-4-10(17)5-3-9/h2-5,8,11,14,17H,6-7H2,1H3
InChIKeyLQYJTWOTTXCXQQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.77
Rot. Bonds2

About 4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]phenol

4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 135983656) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID135983656
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCC1CNCC1c1nc(-c2ccc(O)cc2)no1
InChIInChI=1S/C13H15N3O2/c1-8-6-14-7-11(8)13-15-12(16-18-13)9-2-4-10(17)5-3-9/h2-5,8,11,14,17H,6-7H2,1H3
InChIKeyLQYJTWOTTXCXQQ-UHFFFAOYSA-N
XLogP1.77
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethylsulfanylphenyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106847582
3-(4-fluoro-3-methylphenyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63719853
5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 114085802
5-(4-methylpyrrolidin-3-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 55228804
4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136896348
3-(5-chloro-2-pyridinyl)-5-[(3S,4S)-4-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 114085818
4-(5-morpholin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135991810
3-cyclopropyl-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63721270
3-(methoxymethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63720553
4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135973873
3-(2,3-dihydro-1H-inden-2-yl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 65413097
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]phenol (CID 135983656) is 4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]phenol is CC1CNCC1c1nc(-c2ccc(O)cc2)no1.
What is the InChIKey of 4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is LQYJTWOTTXCXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-6-14-7-11(8)13-15-12(16-18-13)9-2-4-10(17)5-3-9/h2-5,8,11,14,17H,6-7H2,1H3.
What are the key properties of 4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]phenol?
4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 245.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 135983656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).