N-tert-butyl-3-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide

C17H19F2N3O2 — CID 58054188

IUPACN-tert-butyl-3-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
SMILESCC(C)(C)NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1COCC2
InChIInChI=1S/C17H19F2N3O2/c1-17(2,3)21-16(23)14-13-9-24-7-6-22(13)15(20-14)10-4-5-11(18)12(19)8-10/h4-5,8H,6-7,9H2,1-3H3,(H,21,23)
InChIKeyLARPOHTYFJJJTL-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.89
Rot. Bonds2

About N-tert-butyl-3-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide

N-tert-butyl-3-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (PubChem CID 58054188) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is N-tert-butyl-3-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
PubChem CID58054188
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC NameN-tert-butyl-3-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
SMILESCC(C)(C)NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1COCC2
InChIInChI=1S/C17H19F2N3O2/c1-17(2,3)21-16(23)14-13-9-24-7-6-22(13)15(20-14)10-4-5-11(18)12(19)8-10/h4-5,8H,6-7,9H2,1-3H3,(H,21,23)
InChIKeyLARPOHTYFJJJTL-UHFFFAOYSA-N
XLogP2.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 71466046
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1-[6-(4-Fluorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 91889520
1-[6-(4-Fluorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl]-N-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 91889534
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CID 91889492
N-[(2,4-Difluorophenyl)methyl]-1-{6-phenyl-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl}piperidine-4-carboxamide
CID 91889494
N-[1-(4-fluorophenyl)ethyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
CID 91889503
N-[(3-Fluorophenyl)methyl]-1-{6-phenyl-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl}piperidine-4-carboxamide
CID 91889517
N-[(2,5-Difluorophenyl)methyl]-1-{6-phenyl-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl}piperidine-4-carboxamide
CID 91889518
N-cyclopropyl-1-{[6-(4-fluorophenyl)-5,6-dihydro-8H-imidazo[5,1-c][1,4]oxazin-1-yl]carbonyl}piperidine-4-carboxamide
CID 91889521

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The IUPAC name of N-tert-butyl-3-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (CID 58054188) is N-tert-butyl-3-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is CC(C)(C)NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1COCC2.
What is the InChIKey of N-tert-butyl-3-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The InChIKey is LARPOHTYFJJJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-17(2,3)21-16(23)14-13-9-24-7-6-22(13)15(20-14)10-4-5-11(18)12(19)8-10/h4-5,8H,6-7,9H2,1-3H3,(H,21,23).
What are the key properties of N-tert-butyl-3-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
N-tert-butyl-3-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide has a molecular weight of 335.35 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is sourced from PubChem (CID 58054188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).