N-(3-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

C20H17Cl2N3O3 — CID 91889757

IUPACN-(3-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3n(n2)CC(c2ccc(Cl)cc2)OC3)cc1Cl
InChIInChI=1S/C20H17Cl2N3O3/c1-27-18-7-6-14(8-16(18)22)23-20(26)17-9-15-11-28-19(10-25(15)24-17)12-2-4-13(21)5-3-12/h2-9,19H,10-11H2,1H3,(H,23,26)
InChIKeyHAXKWJZSIVQFQN-UHFFFAOYSA-N
MW418.28 g/mol
LogP4.72
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

N-(3-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 91889757) has the molecular formula C20H17Cl2N3O3 and a molecular weight of 418.28 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
PubChem CID91889757
Molecular FormulaC20H17Cl2N3O3
Molecular Weight418.28 g/mol
Exact Mass417.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3n(n2)CC(c2ccc(Cl)cc2)OC3)cc1Cl
InChIInChI=1S/C20H17Cl2N3O3/c1-27-18-7-6-14(8-16(18)22)23-20(26)17-9-15-11-28-19(10-25(15)24-17)12-2-4-13(21)5-3-12/h2-9,19H,10-11H2,1H3,(H,23,26)
InChIKeyHAXKWJZSIVQFQN-UHFFFAOYSA-N
XLogP4.72
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 91889757) is N-(3-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is COc1ccc(NC(=O)c2cc3n(n2)CC(c2ccc(Cl)cc2)OC3)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is HAXKWJZSIVQFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O3/c1-27-18-7-6-14(8-16(18)22)23-20(26)17-9-15-11-28-19(10-25(15)24-17)12-2-4-13(21)5-3-12/h2-9,19H,10-11H2,1H3,(H,23,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 418.28 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 91889757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).