N-(5-chloro-2-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C14H11ClN4O2 — CID 90536857

IUPACN-(5-chloro-2-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)c1cc2n(n1)CCCO2
InChIInChI=1S/C14H11ClN4O2/c15-10-3-2-9(8-16)11(6-10)17-14(20)12-7-13-19(18-12)4-1-5-21-13/h2-3,6-7H,1,4-5H2,(H,17,20)
InChIKeyBDZQESIAQVVADX-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.44
Rot. Bonds2

About N-(5-chloro-2-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

N-(5-chloro-2-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 90536857) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID90536857
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC NameN-(5-chloro-2-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)c1cc2n(n1)CCCO2
InChIInChI=1S/C14H11ClN4O2/c15-10-3-2-9(8-16)11(6-10)17-14(20)12-7-13-19(18-12)4-1-5-21-13/h2-3,6-7H,1,4-5H2,(H,17,20)
InChIKeyBDZQESIAQVVADX-UHFFFAOYSA-N
XLogP2.44
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 90536857) is N-(5-chloro-2-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is N#Cc1ccc(Cl)cc1NC(=O)c1cc2n(n1)CCCO2.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is BDZQESIAQVVADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c15-10-3-2-9(8-16)11(6-10)17-14(20)12-7-13-19(18-12)4-1-5-21-13/h2-3,6-7H,1,4-5H2,(H,17,20).
What are the key properties of N-(5-chloro-2-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-(5-chloro-2-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 302.72 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 90536857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).