N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide

C18H23F2N3O2 — CID 58118867

IUPACN-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide
SMILESCC1(c2cccc(NC(=O)C3CCC(F)(F)CC3)c2)COCC(N)=N1
InChIInChI=1S/C18H23F2N3O2/c1-17(11-25-10-15(21)23-17)13-3-2-4-14(9-13)22-16(24)12-5-7-18(19,20)8-6-12/h2-4,9,12H,5-8,10-11H2,1H3,(H2,21,23)(H,22,24)
InChIKeyUQWORNKFBSCKMK-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.05
Rot. Bonds3

About N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide

N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 58118867) has the molecular formula C18H23F2N3O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide
PubChem CID58118867
Molecular FormulaC18H23F2N3O2
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC NameN-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide
SMILESCC1(c2cccc(NC(=O)C3CCC(F)(F)CC3)c2)COCC(N)=N1
InChIInChI=1S/C18H23F2N3O2/c1-17(11-25-10-15(21)23-17)13-3-2-4-14(9-13)22-16(24)12-5-7-18(19,20)8-6-12/h2-4,9,12H,5-8,10-11H2,1H3,(H2,21,23)(H,22,24)
InChIKeyUQWORNKFBSCKMK-UHFFFAOYSA-N
XLogP3.05
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide (CID 58118867) is N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide is CC1(c2cccc(NC(=O)C3CCC(F)(F)CC3)c2)COCC(N)=N1.
What is the InChIKey of N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is UQWORNKFBSCKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c1-17(11-25-10-15(21)23-17)13-3-2-4-14(9-13)22-16(24)12-5-7-18(19,20)8-6-12/h2-4,9,12H,5-8,10-11H2,1H3,(H2,21,23)(H,22,24).
What are the key properties of N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide?
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 58118867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).