ethyl 3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate

C15H16N2O3 — CID 170978038

IUPACethyl 3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate
SMILESCCOC(=O)c1nn2c(c1-c1ccccc1)COCC2
InChIInChI=1S/C15H16N2O3/c1-2-20-15(18)14-13(11-6-4-3-5-7-11)12-10-19-9-8-17(12)16-14/h3-7H,2,8-10H2,1H3
InChIKeyFNNNVAVMJUXCSR-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.26
Rot. Bonds3

About ethyl 3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate

ethyl 3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate (PubChem CID 170978038) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethyl 3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate
PubChem CID170978038
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Nameethyl 3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate
SMILESCCOC(=O)c1nn2c(c1-c1ccccc1)COCC2
InChIInChI=1S/C15H16N2O3/c1-2-20-15(18)14-13(11-6-4-3-5-7-11)12-10-19-9-8-17(12)16-14/h3-7H,2,8-10H2,1H3
InChIKeyFNNNVAVMJUXCSR-UHFFFAOYSA-N
XLogP2.26
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-acetyl-1,4-diphenylpyrazole-3-carboxylate
CID 100975890
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ethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate
CID 14957307
ethyl 4-morpholin-4-ylphthalazine-1-carboxylate
CID 42878220
triethyl 5-methyl-4-phenylpyridine-2,3,6-tricarboxylate
CID 14469073
ethyl 3-[2-(2-ethoxycarbonyl-4H-pyrazolo[5,1-c][1,4]benzoxazin-3-yl)phenyl]-4H-pyrazolo[5,1-c][1,4]benzoxazine-2-carboxylate
CID 56838618
2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carbaldehyde
CID 155735392
ethyl 5-phenyl-1-propan-2-yltriazole-4-carboxylate
CID 103104608
4-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-1-propan-2-yl-2H-pyrimidin-2-amine
CID 141237010
(3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-[(7R)-2-(trifluoromethyl)spiro[6H-furo[2,3-b]pyrazine-7,2'-pyrrolidine]-1'-yl]methanone
CID 170977668
ethyl 8-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate?
The IUPAC name of ethyl 3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate (CID 170978038) is ethyl 3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate.
What is the SMILES notation for ethyl 3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate?
The canonical SMILES for ethyl 3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate is CCOC(=O)c1nn2c(c1-c1ccccc1)COCC2.
What is the InChIKey of ethyl 3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate?
The InChIKey is FNNNVAVMJUXCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-20-15(18)14-13(11-6-4-3-5-7-11)12-10-19-9-8-17(12)16-14/h3-7H,2,8-10H2,1H3.
What are the key properties of ethyl 3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate?
ethyl 3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate is sourced from PubChem (CID 170978038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).