3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(quinoline-6-carbonyl)pyrrolidine-3-carboxamide

C26H30N4O3 — CID 127249241

IUPAC3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(quinoline-6-carbonyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)c2ccc3ncccc3c2)C1
InChIInChI=1S/C26H30N4O3/c1-27-25(32)26(16-21-15-23(29-33-21)18-6-3-2-4-7-18)11-13-30(17-26)24(31)20-9-10-22-19(14-20)8-5-12-28-22/h5,8-10,12,14-15,18H,2-4,6-7,11,13,16-17H2,1H3,(H,27,32)
InChIKeyLRACNHMKFASPET-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.09
Rot. Bonds5

About 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(quinoline-6-carbonyl)pyrrolidine-3-carboxamide

3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(quinoline-6-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 127249241) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(quinoline-6-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(quinoline-6-carbonyl)pyrrolidine-3-carboxamide
PubChem CID127249241
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(quinoline-6-carbonyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)c2ccc3ncccc3c2)C1
InChIInChI=1S/C26H30N4O3/c1-27-25(32)26(16-21-15-23(29-33-21)18-6-3-2-4-7-18)11-13-30(17-26)24(31)20-9-10-22-19(14-20)8-5-12-28-22/h5,8-10,12,14-15,18H,2-4,6-7,11,13,16-17H2,1H3,(H,27,32)
InChIKeyLRACNHMKFASPET-UHFFFAOYSA-N
XLogP4.09
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-methylpyrrolidine-3-carboxamide
CID 127249251
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-cyclopentylsulfonyl-N-methylpyrrolidine-3-carboxamide
CID 127249268
(2S)-N,2-dimethyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide
CID 124978041
N-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxamide
CID 110130684
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(2-methoxybenzoyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 127249231
[4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 115304563
1-cyclopentyl-N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 110129865
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)pyrrolidine-3-carboxamide
CID 127249275
(3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone
CID 134073962
[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119398124
(6R)-1-methyl-8-(quinoline-6-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495370
pyrrolidin-1-yl-[3-[1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 110228870

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(quinoline-6-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(quinoline-6-carbonyl)pyrrolidine-3-carboxamide (CID 127249241) is 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(quinoline-6-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(quinoline-6-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(quinoline-6-carbonyl)pyrrolidine-3-carboxamide is CNC(=O)C1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)c2ccc3ncccc3c2)C1.
What is the InChIKey of 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(quinoline-6-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is LRACNHMKFASPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-27-25(32)26(16-21-15-23(29-33-21)18-6-3-2-4-7-18)11-13-30(17-26)24(31)20-9-10-22-19(14-20)8-5-12-28-22/h5,8-10,12,14-15,18H,2-4,6-7,11,13,16-17H2,1H3,(H,27,32).
What are the key properties of 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(quinoline-6-carbonyl)pyrrolidine-3-carboxamide?
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(quinoline-6-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(quinoline-6-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 127249241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).