5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole

C25H25N3O — CID 67774789

IUPAC5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole
SMILESC[C@@H]1CCCN1CCc1cccc2ccc(-c3cc(-c4ccccc4)no3)nc12
InChIInChI=1S/C25H25N3O/c1-18-7-6-15-28(18)16-14-21-11-5-10-20-12-13-22(26-25(20)21)24-17-23(27-29-24)19-8-3-2-4-9-19/h2-5,8-13,17-18H,6-7,14-16H2,1H3/t18-/m1/s1
InChIKeySZRMBPVXALQSGS-GOSISDBHSA-N
MW383.50 g/mol
LogP5.58
Rot. Bonds5

About 5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole

5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole (PubChem CID 67774789) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole
PubChem CID67774789
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole
SMILESC[C@@H]1CCCN1CCc1cccc2ccc(-c3cc(-c4ccccc4)no3)nc12
InChIInChI=1S/C25H25N3O/c1-18-7-6-15-28(18)16-14-21-11-5-10-20-12-13-22(26-25(20)21)24-17-23(27-29-24)19-8-3-2-4-9-19/h2-5,8-13,17-18H,6-7,14-16H2,1H3/t18-/m1/s1
InChIKeySZRMBPVXALQSGS-GOSISDBHSA-N
XLogP5.58
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole (CID 67774789) is 5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole is C[C@@H]1CCCN1CCc1cccc2ccc(-c3cc(-c4ccccc4)no3)nc12.
What is the InChIKey of 5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole?
The InChIKey is SZRMBPVXALQSGS-GOSISDBHSA-N. The full InChI is InChI=1S/C25H25N3O/c1-18-7-6-15-28(18)16-14-21-11-5-10-20-12-13-22(26-25(20)21)24-17-23(27-29-24)19-8-3-2-4-9-19/h2-5,8-13,17-18H,6-7,14-16H2,1H3/t18-/m1/s1.
What are the key properties of 5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole?
5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole has a molecular weight of 383.50 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 67774789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).