3-(4-chloro-5-fluoro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C17H15ClF3N3O2 — CID 155884362

IUPAC3-(4-chloro-5-fluoro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1cc(Cl)c(F)cc1-c1c(C(=O)NC2CC2)nn2c1OCC(F)(F)C2
InChIInChI=1S/C17H15ClF3N3O2/c1-8-4-11(18)12(19)5-10(8)13-14(15(25)22-9-2-3-9)23-24-6-17(20,21)7-26-16(13)24/h4-5,9H,2-3,6-7H2,1H3,(H,22,25)
InChIKeyGILOGFJUMQAJNQ-UHFFFAOYSA-N
MW385.77 g/mol
LogP3.57
Rot. Bonds3

About 3-(4-chloro-5-fluoro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide

3-(4-chloro-5-fluoro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 155884362) has the molecular formula C17H15ClF3N3O2 and a molecular weight of 385.77 g/mol. Its IUPAC name is 3-(4-chloro-5-fluoro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-5-fluoro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID155884362
Molecular FormulaC17H15ClF3N3O2
Molecular Weight385.77 g/mol
Exact Mass385.08
IUPAC Name3-(4-chloro-5-fluoro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1cc(Cl)c(F)cc1-c1c(C(=O)NC2CC2)nn2c1OCC(F)(F)C2
InChIInChI=1S/C17H15ClF3N3O2/c1-8-4-11(18)12(19)5-10(8)13-14(15(25)22-9-2-3-9)23-24-6-17(20,21)7-26-16(13)24/h4-5,9H,2-3,6-7H2,1H3,(H,22,25)
InChIKeyGILOGFJUMQAJNQ-UHFFFAOYSA-N
XLogP3.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.77
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-fluoro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of 3-(4-chloro-5-fluoro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 155884362) is 3-(4-chloro-5-fluoro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for 3-(4-chloro-5-fluoro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for 3-(4-chloro-5-fluoro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide is Cc1cc(Cl)c(F)cc1-c1c(C(=O)NC2CC2)nn2c1OCC(F)(F)C2.
What is the InChIKey of 3-(4-chloro-5-fluoro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is GILOGFJUMQAJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O2/c1-8-4-11(18)12(19)5-10(8)13-14(15(25)22-9-2-3-9)23-24-6-17(20,21)7-26-16(13)24/h4-5,9H,2-3,6-7H2,1H3,(H,22,25).
What are the key properties of 3-(4-chloro-5-fluoro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
3-(4-chloro-5-fluoro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 385.77 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-fluoro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 155884362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).