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

C19H25N3O3 — CID 154751348

IUPAC1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(C)(O)C2CCCN2Cc2noc(C3CC3)n2)cc1
InChIInChI=1S/C19H25N3O3/c1-19(23,14-7-9-15(24-2)10-8-14)16-4-3-11-22(16)12-17-20-18(25-21-17)13-5-6-13/h7-10,13,16,23H,3-6,11-12H2,1-2H3
InChIKeyRQZFXWYIFIECMQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.83
Rot. Bonds6

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

1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol (PubChem CID 154751348) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol
PubChem CID154751348
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(C)(O)C2CCCN2Cc2noc(C3CC3)n2)cc1
InChIInChI=1S/C19H25N3O3/c1-19(23,14-7-9-15(24-2)10-8-14)16-4-3-11-22(16)12-17-20-18(25-21-17)13-5-6-13/h7-10,13,16,23H,3-6,11-12H2,1-2H3
InChIKeyRQZFXWYIFIECMQ-UHFFFAOYSA-N
XLogP2.83
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol (CID 154751348) is 1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol is COc1ccc(C(C)(O)C2CCCN2Cc2noc(C3CC3)n2)cc1.
What is the InChIKey of 1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol?
The InChIKey is RQZFXWYIFIECMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-19(23,14-7-9-15(24-2)10-8-14)16-4-3-11-22(16)12-17-20-18(25-21-17)13-5-6-13/h7-10,13,16,23H,3-6,11-12H2,1-2H3.
What are the key properties of 1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol?
1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol has a molecular weight of 343.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 154751348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).