6-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole-2-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrochloride

C12H13ClN4O4 — CID 135331341

IUPAC6-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole-2-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrochloride
SMILESCl.O=C(c1nc2c(o1)CNC2)N1CCc2c(o[nH]c2=O)C1
InChIInChI=1S/C12H12N4O4.ClH/c17-10-6-1-2-16(5-9(6)20-15-10)12(18)11-14-7-3-13-4-8(7)19-11;/h13H,1-5H2,(H,15,17);1H
InChIKeyIJICMRZYHDMBSV-UHFFFAOYSA-N
MW312.71 g/mol
LogP0.18
Rot. Bonds1

About 6-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole-2-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrochloride

6-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole-2-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrochloride (PubChem CID 135331341) has the molecular formula C12H13ClN4O4 and a molecular weight of 312.71 g/mol. Its IUPAC name is 6-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole-2-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrochloride.

Molecular Properties

Compound Name6-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole-2-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrochloride
PubChem CID135331341
Molecular FormulaC12H13ClN4O4
Molecular Weight312.71 g/mol
Exact Mass312.06
IUPAC Name6-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole-2-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrochloride
SMILESCl.O=C(c1nc2c(o1)CNC2)N1CCc2c(o[nH]c2=O)C1
InChIInChI=1S/C12H12N4O4.ClH/c17-10-6-1-2-16(5-9(6)20-15-10)12(18)11-14-7-3-13-4-8(7)19-11;/h13H,1-5H2,(H,15,17);1H
InChIKeyIJICMRZYHDMBSV-UHFFFAOYSA-N
XLogP0.18
TPSA104.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.71
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole-2-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrochloride with MolForge

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Related Compounds

[5-chloro-4-cyano-2-(3,3-dimethyl-2-oxobutyl)phenyl]methyl 2-(3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate
CID 160538584
6-(3-methylpyrrolidine-1-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
CID 178148013
methyl 3-oxo-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine-6-carboxylate
CID 54330222
N-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxamide
CID 167975510
5,5,7-trideuterio-6,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
CID 172865442
6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
CID 58575395
2H-benzotriazol-5-yl-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170507258
(2,6-dimethyl-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170504287
4-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-6-methyl-1H-pyridin-2-one
CID 170502822
4-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-1-methylpyridin-2-one
CID 170509508
6-methyl-4-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-pyridin-2-one
CID 170508120
1-[3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)phenyl]imidazolidin-2-one
CID 170508919

Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole-2-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrochloride?
The IUPAC name of 6-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole-2-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrochloride (CID 135331341) is 6-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole-2-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrochloride.
What is the SMILES notation for 6-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole-2-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrochloride?
The canonical SMILES for 6-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole-2-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrochloride is Cl.O=C(c1nc2c(o1)CNC2)N1CCc2c(o[nH]c2=O)C1.
What is the InChIKey of 6-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole-2-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrochloride?
The InChIKey is IJICMRZYHDMBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4.ClH/c17-10-6-1-2-16(5-9(6)20-15-10)12(18)11-14-7-3-13-4-8(7)19-11;/h13H,1-5H2,(H,15,17);1H.
What are the key properties of 6-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole-2-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrochloride?
6-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole-2-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrochloride has a molecular weight of 312.71 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole-2-carbonyl)-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one;hydrochloride is sourced from PubChem (CID 135331341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).