8-fluoro-N-[(1S,2R)-2-methylcyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide

C19H22FN3O2 — CID 172566489

IUPAC8-fluoro-N-[(1S,2R)-2-methylcyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)c2c(c1)-c1cncn1CCO2
InChIInChI=1S/C19H22FN3O2/c1-12-4-2-3-5-16(12)22-19(24)13-8-14-17-10-21-11-23(17)6-7-25-18(14)15(20)9-13/h8-12,16H,2-7H2,1H3,(H,22,24)/t12-,16+/m1/s1
InChIKeyGZQORYAAVRAGBO-WBMJQRKESA-N
MW343.40 g/mol
LogP3.39
Rot. Bonds2

About 8-fluoro-N-[(1S,2R)-2-methylcyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide

8-fluoro-N-[(1S,2R)-2-methylcyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide (PubChem CID 172566489) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 8-fluoro-N-[(1S,2R)-2-methylcyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-[(1S,2R)-2-methylcyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide
PubChem CID172566489
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name8-fluoro-N-[(1S,2R)-2-methylcyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)c2c(c1)-c1cncn1CCO2
InChIInChI=1S/C19H22FN3O2/c1-12-4-2-3-5-16(12)22-19(24)13-8-14-17-10-21-11-23(17)6-7-25-18(14)15(20)9-13/h8-12,16H,2-7H2,1H3,(H,22,24)/t12-,16+/m1/s1
InChIKeyGZQORYAAVRAGBO-WBMJQRKESA-N
XLogP3.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-fluoro-N-[(1S,2R)-2-methylcyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-8-methyl-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide;2-methoxyethanol
CID 172566509
3,5-difluoro-4-methoxy-N-(2-methylcyclohexyl)benzamide
CID 59356103
5-methoxy-N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 51200423
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
3-bromo-4-fluoro-N-(2-methylcycloheptyl)benzamide
CID 114020017
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
3,5-diamino-N-(2-methylcyclohexyl)benzamide
CID 61090027
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
3,5-difluoro-N-[(1R,2S)-2-methylcyclohexyl]-4-prop-2-ynoxybenzamide
CID 87640430
3-cyano-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404837
2-(methylamino)-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 59355708

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[(1S,2R)-2-methylcyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide?
The IUPAC name of 8-fluoro-N-[(1S,2R)-2-methylcyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide (CID 172566489) is 8-fluoro-N-[(1S,2R)-2-methylcyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide.
What is the SMILES notation for 8-fluoro-N-[(1S,2R)-2-methylcyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide?
The canonical SMILES for 8-fluoro-N-[(1S,2R)-2-methylcyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide is C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(F)c2c(c1)-c1cncn1CCO2.
What is the InChIKey of 8-fluoro-N-[(1S,2R)-2-methylcyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide?
The InChIKey is GZQORYAAVRAGBO-WBMJQRKESA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-12-4-2-3-5-16(12)22-19(24)13-8-14-17-10-21-11-23(17)6-7-25-18(14)15(20)9-13/h8-12,16H,2-7H2,1H3,(H,22,24)/t12-,16+/m1/s1.
What are the key properties of 8-fluoro-N-[(1S,2R)-2-methylcyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide?
8-fluoro-N-[(1S,2R)-2-methylcyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[(1S,2R)-2-methylcyclohexyl]-5,6-dihydroimidazo[1,5-d][1,4]benzoxazepine-10-carboxamide is sourced from PubChem (CID 172566489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).