[(2S,4S)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone

C23H27N3O2 — CID 100700529

IUPAC[(2S,4S)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(C(C)C)nc4onc(C)c34)C2)cc1
InChIInChI=1S/C23H27N3O2/c1-13(2)20-11-19(21-16(5)25-28-22(21)24-20)23(27)26-12-18(10-15(26)4)17-8-6-14(3)7-9-17/h6-9,11,13,15,18H,10,12H2,1-5H3/t15-,18+/m0/s1
InChIKeyGTONWRGPAFNSKN-MAUKXSAKSA-N
MW377.49 g/mol
LogP4.98
Rot. Bonds3

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

[(2S,4S)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 100700529) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is [(2S,4S)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name[(2S,4S)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
PubChem CID100700529
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name[(2S,4S)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(C(C)C)nc4onc(C)c34)C2)cc1
InChIInChI=1S/C23H27N3O2/c1-13(2)20-11-19(21-16(5)25-28-22(21)24-20)23(27)26-12-18(10-15(26)4)17-8-6-14(3)7-9-17/h6-9,11,13,15,18H,10,12H2,1-5H3/t15-,18+/m0/s1
InChIKeyGTONWRGPAFNSKN-MAUKXSAKSA-N
XLogP4.98
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylpiperazin-1-yl)-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
CID 119471065
2-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 120517782
3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9391694
[2-(aminomethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
CID 75513695
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 119649647
(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 46976481
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 78831717
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 45495158
(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 112808020
N-methyl-1-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 78864229
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
CID 119645422
2-[4-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78858866

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The IUPAC name of [(2S,4S)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone (CID 100700529) is [(2S,4S)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for [(2S,4S)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The canonical SMILES for [(2S,4S)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone is Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(C(C)C)nc4onc(C)c34)C2)cc1.
What is the InChIKey of [(2S,4S)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
The InChIKey is GTONWRGPAFNSKN-MAUKXSAKSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-13(2)20-11-19(21-16(5)25-28-22(21)24-20)23(27)26-12-18(10-15(26)4)17-8-6-14(3)7-9-17/h6-9,11,13,15,18H,10,12H2,1-5H3/t15-,18+/m0/s1.
What are the key properties of [(2S,4S)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone?
[(2S,4S)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone has a molecular weight of 377.49 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 100700529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).