[(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone

C26H31N3O2 — CID 92617256

IUPAC[(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCc1cc(Cc2ccccc2C)cc([C@@H]2CCCN2C(=O)c2c(C(C)C)noc2C)n1
InChIInChI=1S/C26H31N3O2/c1-16(2)25-24(19(5)31-28-25)26(30)29-12-8-11-23(29)22-15-20(13-18(4)27-22)14-21-10-7-6-9-17(21)3/h6-7,9-10,13,15-16,23H,8,11-12,14H2,1-5H3/t23-/m0/s1
InChIKeyGYEGXFIFMBGYLS-QHCPKHFHSA-N
MW417.55 g/mol
LogP5.69
Rot. Bonds5

About [(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone

[(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone (PubChem CID 92617256) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is [(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
PubChem CID92617256
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name[(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCc1cc(Cc2ccccc2C)cc([C@@H]2CCCN2C(=O)c2c(C(C)C)noc2C)n1
InChIInChI=1S/C26H31N3O2/c1-16(2)25-24(19(5)31-28-25)26(30)29-12-8-11-23(29)22-15-20(13-18(4)27-22)14-21-10-7-6-9-17(21)3/h6-7,9-10,13,15-16,23H,8,11-12,14H2,1-5H3/t23-/m0/s1
InChIKeyGYEGXFIFMBGYLS-QHCPKHFHSA-N
XLogP5.69
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

cyclopentyl-[(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 92616788
1-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110262759
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 124995807
[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 110104434
(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 125005114
(8-methylimidazo[1,2-a]pyridin-2-yl)-[(2R)-2-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 92617149
(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-(7-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]methanone
CID 92625003
[2-(2,6-dimethylphenyl)pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 138037142
1-[4-(methylamino)-2-[(2S)-1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 92623016
1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 92616786
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70787503
1-[3-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 110253844

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone (CID 92617256) is [(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone is Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN2C(=O)c2c(C(C)C)noc2C)n1.
What is the InChIKey of [(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The InChIKey is GYEGXFIFMBGYLS-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-16(2)25-24(19(5)31-28-25)26(30)29-12-8-11-23(29)22-15-20(13-18(4)27-22)14-21-10-7-6-9-17(21)3/h6-7,9-10,13,15-16,23H,8,11-12,14H2,1-5H3/t23-/m0/s1.
What are the key properties of [(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
[(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone has a molecular weight of 417.55 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 92617256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).