3-(3,4-difluorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide

C19H23F2N3O3 — CID 58054137

IUPAC3-(3,4-difluorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
SMILESCC(C)(C)[C@@H](CO)NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1COCC2
InChIInChI=1S/C19H23F2N3O3/c1-19(2,3)15(9-25)22-18(26)16-14-10-27-7-6-24(14)17(23-16)11-4-5-12(20)13(21)8-11/h4-5,8,15,25H,6-7,9-10H2,1-3H3,(H,22,26)/t15-/m1/s1
InChIKeyILHFIEQTPSXKSC-OAHLLOKOSA-N
MW379.41 g/mol
LogP2.50
Rot. Bonds4

About 3-(3,4-difluorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide

3-(3,4-difluorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (PubChem CID 58054137) has the molecular formula C19H23F2N3O3 and a molecular weight of 379.41 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
PubChem CID58054137
Molecular FormulaC19H23F2N3O3
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC Name3-(3,4-difluorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide
SMILESCC(C)(C)[C@@H](CO)NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1COCC2
InChIInChI=1S/C19H23F2N3O3/c1-19(2,3)15(9-25)22-18(26)16-14-10-27-7-6-24(14)17(23-16)11-4-5-12(20)13(21)8-11/h4-5,8,15,25H,6-7,9-10H2,1-3H3,(H,22,26)/t15-/m1/s1
InChIKeyILHFIEQTPSXKSC-OAHLLOKOSA-N
XLogP2.50
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-difluorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide with MolForge

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Related Compounds

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CID 44193830
1-[6-(4-Fluorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 91889520
N-Butyl-1-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 91889527
Methyl 6-(cycloheptylcarbamoyl)-7-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,5-A]pyrazine-1-carboxylate
CID 11619455
Retagliptin phosphate
CID 49820554
Methyl 6-(cycloheptylcarbamoyl)-7-[(2-fluorophenyl)methyl]-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,5-A]pyrazine-1-carboxylate
CID 46277654
Methyl 6-(cyclopentylcarbamoyl)-7-[(2-fluorophenyl)methyl]-6-methyl-8-oxo-5H,6H,7H,8H-imidazo[1,5-A]pyrazine-1-carboxylate
CID 50758302
1-[6-(4-Fluorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl]-N-(pentan-3-YL)piperidine-4-carboxamide
CID 87054876
1-[6-(4-Fluorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 87054878
1-[6-(4-Fluorophenyl)-5H,6H,8H-imidazo[4,3-C][1,4]oxazine-1-carbonyl]-N-[1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 91889541
1-{[6-(4-fluorophenyl)-5,6-dihydro-8H-imidazo[5,1-c][1,4]oxazin-1-yl]carbonyl}-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 91917178
1-(4-fluorobenzyl)-8-[(1-hydroxybutan-2-yl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CID 3832290

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide (CID 58054137) is 3-(3,4-difluorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is CC(C)(C)[C@@H](CO)NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1COCC2.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
The InChIKey is ILHFIEQTPSXKSC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23F2N3O3/c1-19(2,3)15(9-25)22-18(26)16-14-10-27-7-6-24(14)17(23-16)11-4-5-12(20)13(21)8-11/h4-5,8,15,25H,6-7,9-10H2,1-3H3,(H,22,26)/t15-/m1/s1.
What are the key properties of 3-(3,4-difluorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide?
3-(3,4-difluorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide has a molecular weight of 379.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxamide is sourced from PubChem (CID 58054137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).