2-(4-chlorophenyl)-6-[(2-methoxyphenoxy)methyl]-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one

C20H17ClN2O4 — CID 24767646

IUPAC2-(4-chlorophenyl)-6-[(2-methoxyphenoxy)methyl]-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one
SMILESCOc1ccccc1OCC1Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)O1
InChIInChI=1S/C20H17ClN2O4/c1-25-18-4-2-3-5-19(18)26-12-15-11-23-17(20(24)27-15)10-16(22-23)13-6-8-14(21)9-7-13/h2-10,15H,11-12H2,1H3
InChIKeyHDTIWZOZLSAJIN-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.83
Rot. Bonds5

About 2-(4-chlorophenyl)-6-[(2-methoxyphenoxy)methyl]-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one

2-(4-chlorophenyl)-6-[(2-methoxyphenoxy)methyl]-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one (PubChem CID 24767646) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[(2-methoxyphenoxy)methyl]-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-[(2-methoxyphenoxy)methyl]-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one
PubChem CID24767646
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name2-(4-chlorophenyl)-6-[(2-methoxyphenoxy)methyl]-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one
SMILESCOc1ccccc1OCC1Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)O1
InChIInChI=1S/C20H17ClN2O4/c1-25-18-4-2-3-5-19(18)26-12-15-11-23-17(20(24)27-15)10-16(22-23)13-6-8-14(21)9-7-13/h2-10,15H,11-12H2,1H3
InChIKeyHDTIWZOZLSAJIN-UHFFFAOYSA-N
XLogP3.83
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-[(2-methoxyphenoxy)methyl]-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-6-[(2-methoxyphenoxy)methyl]-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one (CID 24767646) is 2-(4-chlorophenyl)-6-[(2-methoxyphenoxy)methyl]-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-[(2-methoxyphenoxy)methyl]-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-[(2-methoxyphenoxy)methyl]-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one is COc1ccccc1OCC1Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)O1.
What is the InChIKey of 2-(4-chlorophenyl)-6-[(2-methoxyphenoxy)methyl]-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one?
The InChIKey is HDTIWZOZLSAJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-25-18-4-2-3-5-19(18)26-12-15-11-23-17(20(24)27-15)10-16(22-23)13-6-8-14(21)9-7-13/h2-10,15H,11-12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-[(2-methoxyphenoxy)methyl]-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one?
2-(4-chlorophenyl)-6-[(2-methoxyphenoxy)methyl]-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one has a molecular weight of 384.82 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-[(2-methoxyphenoxy)methyl]-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one is sourced from PubChem (CID 24767646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).