[3-(1H-isoindol-5-yl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone

C19H18N4O2 — CID 154994307

IUPAC[3-(1H-isoindol-5-yl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc2c(c1)OCN2c1ccc2c(c1)C=NC2)N1CCCC1
InChIInChI=1S/C19H18N4O2/c24-19(22-5-1-2-6-22)15-8-17-18(21-11-15)23(12-25-17)16-4-3-13-9-20-10-14(13)7-16/h3-4,7-8,10-11H,1-2,5-6,9,12H2
InChIKeyRDKQZVHTPHJNIB-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.74
Rot. Bonds2

About [3-(1H-isoindol-5-yl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone

[3-(1H-isoindol-5-yl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 154994307) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is [3-(1H-isoindol-5-yl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(1H-isoindol-5-yl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID154994307
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name[3-(1H-isoindol-5-yl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc2c(c1)OCN2c1ccc2c(c1)C=NC2)N1CCCC1
InChIInChI=1S/C19H18N4O2/c24-19(22-5-1-2-6-22)15-8-17-18(21-11-15)23(12-25-17)16-4-3-13-9-20-10-14(13)7-16/h3-4,7-8,10-11H,1-2,5-6,9,12H2
InChIKeyRDKQZVHTPHJNIB-UHFFFAOYSA-N
XLogP2.74
TPSA58.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3-chlorophenyl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 154994284
[4-(4-fluorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]-piperidin-1-ylmethanone
CID 154994839
3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 166887089
3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde
CID 154994400
6-methyl-2-[6-(pyrrolidine-1-carbonyl)-2H-[1,3]oxazolo[4,5-b]pyridin-3-yl]-6,7-dihydrocyclopenta[b]pyridin-5-one
CID 154994337
4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzoic acid
CID 154994854
methyl 3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylate
CID 166887132
N,1-dimethyl-6-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]indole-2-carboxamide
CID 167390570
2-methylimino-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde
CID 166886962
[3-(4-aminophenyl)-2H-1,3-benzoxazol-6-yl]-pyrrolidin-1-ylmethanone
CID 163881106
(2Z)-2-(methylhydrazinylidene)-4-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]pyridine-1-carbaldehyde
CID 154995264
3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(pyrrolidin-1-yl)methanone
CID 142494924

Frequently Asked Questions

What is the IUPAC name of [3-(1H-isoindol-5-yl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(1H-isoindol-5-yl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone (CID 154994307) is [3-(1H-isoindol-5-yl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(1H-isoindol-5-yl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(1H-isoindol-5-yl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone is O=C(c1cnc2c(c1)OCN2c1ccc2c(c1)C=NC2)N1CCCC1.
What is the InChIKey of [3-(1H-isoindol-5-yl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RDKQZVHTPHJNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-19(22-5-1-2-6-22)15-8-17-18(21-11-15)23(12-25-17)16-4-3-13-9-20-10-14(13)7-16/h3-4,7-8,10-11H,1-2,5-6,9,12H2.
What are the key properties of [3-(1H-isoindol-5-yl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
[3-(1H-isoindol-5-yl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 334.38 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-isoindol-5-yl)-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 154994307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).