2,4-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-oxazole

C21H25N3O — CID 46890688

IUPAC2,4-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-oxazole
SMILESCc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)o1
InChIInChI=1S/C21H25N3O/c1-14-5-4-11-24(14)12-10-17-6-8-19-18(13-17)7-9-20(23-19)21-15(2)22-16(3)25-21/h6-9,13-14H,4-5,10-12H2,1-3H3/t14-/m1/s1
InChIKeyBZUOLQNPHMFGPW-CQSZACIVSA-N
MW335.45 g/mol
LogP4.53
Rot. Bonds4

About 2,4-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-oxazole

2,4-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-oxazole (PubChem CID 46890688) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2,4-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-oxazole
PubChem CID46890688
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2,4-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-oxazole
SMILESCc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)o1
InChIInChI=1S/C21H25N3O/c1-14-5-4-11-24(14)12-10-17-6-8-19-18(13-17)7-9-20(23-19)21-15(2)22-16(3)25-21/h6-9,13-14H,4-5,10-12H2,1-3H3/t14-/m1/s1
InChIKeyBZUOLQNPHMFGPW-CQSZACIVSA-N
XLogP4.53
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-oxazole with MolForge

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Related Compounds

RS-504393
CID 9953769
N-Benzyl-4-{4-[(2,3-dihydro-1H-indol-1-YL)methyl]-5-methyl-1,3-oxazol-2-YL}-N-methylbenzamide
CID 16029477
4-(1,3-Benzoxazol-2-yl)-2-methylquinoline
CID 660271
Quinoline, 2-(2-benzoxazolyl)-
CID 723043
2-(4-Methylquinolin-6-yl)-1,3-benzoxazole
CID 2421435
(R)-2-(furan-3-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 25156481
2-(Furan-3-yl)-6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinoline
CID 56666240
Oxazole, 4,5-diphenyl-2-(1-pyrrolidinylmethyl)-
CID 214427
Oxazole, 4,5-diphenyl-2-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride
CID 214447
1-[(5-Methyl-2-phenyl-1,3-oxazol-4-YL)methyl]-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
CID 4053467
1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 16009957
2-(1-Methylquinolin-1-ium-4-yl)-5-phenyl-1,3-oxazole
CID 6611621

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-oxazole?
The IUPAC name of 2,4-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-oxazole (CID 46890688) is 2,4-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2,4-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-oxazole?
The canonical SMILES for 2,4-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-oxazole is Cc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)o1.
What is the InChIKey of 2,4-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-oxazole?
The InChIKey is BZUOLQNPHMFGPW-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N3O/c1-14-5-4-11-24(14)12-10-17-6-8-19-18(13-17)7-9-20(23-19)21-15(2)22-16(3)25-21/h6-9,13-14H,4-5,10-12H2,1-3H3/t14-/m1/s1.
What are the key properties of 2,4-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-oxazole?
2,4-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-oxazole has a molecular weight of 335.45 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-oxazole is sourced from PubChem (CID 46890688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).