ethyl (5R)-5-methyl-2-thiophen-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate

C14H16N2O3S — CID 169034083

IUPACethyl (5R)-5-methyl-2-thiophen-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccsc2)nn2c1O[C@H](C)CC2
InChIInChI=1S/C14H16N2O3S/c1-3-18-14(17)11-12(10-5-7-20-8-10)15-16-6-4-9(2)19-13(11)16/h5,7-9H,3-4,6H2,1-2H3/t9-/m1/s1
InChIKeyPHSVQPPYZNFASX-SECBINFHSA-N
MW292.36 g/mol
LogP2.96
Rot. Bonds3

About ethyl (5R)-5-methyl-2-thiophen-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate

ethyl (5R)-5-methyl-2-thiophen-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate (PubChem CID 169034083) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is ethyl (5R)-5-methyl-2-thiophen-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate.

Molecular Properties

Compound Nameethyl (5R)-5-methyl-2-thiophen-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate
PubChem CID169034083
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Nameethyl (5R)-5-methyl-2-thiophen-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccsc2)nn2c1O[C@H](C)CC2
InChIInChI=1S/C14H16N2O3S/c1-3-18-14(17)11-12(10-5-7-20-8-10)15-16-6-4-9(2)19-13(11)16/h5,7-9H,3-4,6H2,1-2H3/t9-/m1/s1
InChIKeyPHSVQPPYZNFASX-SECBINFHSA-N
XLogP2.96
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (5R)-2-[1-(difluoromethyl)pyrazol-4-yl]-5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate
CID 169034057
ethyl (5R)-2-(1,3-dimethylpyrazol-4-yl)-5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate
CID 169034100
ethyl (5S)-5-methyl-2-[1-(oxan-4-yl)pyrazol-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate
CID 166939987
ethyl (5S)-2-benzyl-5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate
CID 166939907
ethyl 2-(2-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate
CID 166939061
ethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate
CID 121116782
ethyl 6-methyl-4-oxo-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 8978422
ethyl 6-methyl-4-oxo-2-[[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]-3H-furo[2,3-d]pyrimidine-5-carboxylate
CID 51964683
ethyl 5-methyl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 138756381
diethyl 2,6-dimethyl-4-(5-thiophen-3-ylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 51057911
ethyl 5-(4-thiophen-3-ylphenyl)-2H-triazole-4-carboxylate
CID 169401570
ethyl 2-methyl-5-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 53271415

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-5-methyl-2-thiophen-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate?
The IUPAC name of ethyl (5R)-5-methyl-2-thiophen-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate (CID 169034083) is ethyl (5R)-5-methyl-2-thiophen-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate.
What is the SMILES notation for ethyl (5R)-5-methyl-2-thiophen-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate?
The canonical SMILES for ethyl (5R)-5-methyl-2-thiophen-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate is CCOC(=O)c1c(-c2ccsc2)nn2c1O[C@H](C)CC2.
What is the InChIKey of ethyl (5R)-5-methyl-2-thiophen-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate?
The InChIKey is PHSVQPPYZNFASX-SECBINFHSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-18-14(17)11-12(10-5-7-20-8-10)15-16-6-4-9(2)19-13(11)16/h5,7-9H,3-4,6H2,1-2H3/t9-/m1/s1.
What are the key properties of ethyl (5R)-5-methyl-2-thiophen-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate?
ethyl (5R)-5-methyl-2-thiophen-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-5-methyl-2-thiophen-3-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxylate is sourced from PubChem (CID 169034083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).