methyl 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylate

C14H15N3O4 — CID 112733952

IUPACmethyl 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cnc3onc(C)c3c2)C1
InChIInChI=1S/C14H15N3O4/c1-8-11-5-10(6-15-12(11)21-16-8)13(18)17-4-3-9(7-17)14(19)20-2/h5-6,9H,3-4,7H2,1-2H3
InChIKeyODLOSHQWXYQUDO-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.17
Rot. Bonds2

About methyl 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylate

methyl 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylate (PubChem CID 112733952) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is methyl 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylate
PubChem CID112733952
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Namemethyl 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cnc3onc(C)c3c2)C1
InChIInChI=1S/C14H15N3O4/c1-8-11-5-10(6-15-12(11)21-16-8)13(18)17-4-3-9(7-17)14(19)20-2/h5-6,9H,3-4,7H2,1-2H3
InChIKeyODLOSHQWXYQUDO-UHFFFAOYSA-N
XLogP1.17
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 62371859
(3-hydroxyazetidin-1-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 55178781
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
CID 119645414
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
CID 119622726
1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carbonitrile
CID 49062645
(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 38161377
(2,6-dimethylmorpholin-4-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 47150631
2-[1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)azetidin-3-yl]acetic acid
CID 64604347
methyl 1-(3,4-dichlorobenzoyl)pyrrolidine-3-carboxylate
CID 84581364
methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate
CID 78988205
methyl 1-(3-bromo-5-methylbenzoyl)pyrrolidine-3-carboxylate
CID 104852881
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
CID 119631996

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylate (CID 112733952) is methyl 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)c2cnc3onc(C)c3c2)C1.
What is the InChIKey of methyl 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylate?
The InChIKey is ODLOSHQWXYQUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-8-11-5-10(6-15-12(11)21-16-8)13(18)17-4-3-9(7-17)14(19)20-2/h5-6,9H,3-4,7H2,1-2H3.
What are the key properties of methyl 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylate?
methyl 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 112733952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).