[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

C20H24N4O2 — CID 97006079

IUPAC[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)(C)Cc1noc2ncc(C(=O)N3CCC[C@H]3c3ccc[nH]3)cc12
InChIInChI=1S/C20H24N4O2/c1-20(2,3)11-16-14-10-13(12-22-18(14)26-23-16)19(25)24-9-5-7-17(24)15-6-4-8-21-15/h4,6,8,10,12,17,21H,5,7,9,11H2,1-3H3/t17-/m0/s1
InChIKeyLOPLBPDPJRPYMJ-KRWDZBQOSA-N
MW352.44 g/mol
LogP4.12
Rot. Bonds3

About [3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 97006079) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID97006079
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)(C)Cc1noc2ncc(C(=O)N3CCC[C@H]3c3ccc[nH]3)cc12
InChIInChI=1S/C20H24N4O2/c1-20(2,3)11-16-14-10-13(12-22-18(14)26-23-16)19(25)24-9-5-7-17(24)15-6-4-8-21-15/h4,6,8,10,12,17,21H,5,7,9,11H2,1-3H3/t17-/m0/s1
InChIKeyLOPLBPDPJRPYMJ-KRWDZBQOSA-N
XLogP4.12
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 97002054
(2S)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 99701713
1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butane-1,3-dione
CID 60951109
[4-(chloromethyl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 60948438
(3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 47176415
(3-amino-5-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 81093488
1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 63717325
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
CID 119631996
(2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 79388531
[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 95159581
1-[5-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 97025098
(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768550

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone (CID 97006079) is [3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is CC(C)(C)Cc1noc2ncc(C(=O)N3CCC[C@H]3c3ccc[nH]3)cc12.
What is the InChIKey of [3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is LOPLBPDPJRPYMJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-20(2,3)11-16-14-10-13(12-22-18(14)26-23-16)19(25)24-9-5-7-17(24)15-6-4-8-21-15/h4,6,8,10,12,17,21H,5,7,9,11H2,1-3H3/t17-/m0/s1.
What are the key properties of [3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone?
[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 352.44 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97006079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).