N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide

C14H12F3N3O2 — CID 83278855

IUPACN-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cn2c(n1)COCC2
InChIInChI=1S/C14H12F3N3O2/c15-14(16,17)9-1-3-10(4-2-9)18-13(21)11-7-20-5-6-22-8-12(20)19-11/h1-4,7H,5-6,8H2,(H,18,21)
InChIKeyJGEOXSAJHAZORQ-UHFFFAOYSA-N
MW311.26 g/mol
LogP2.68
Rot. Bonds2

About N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide

N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 83278855) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID83278855
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC NameN-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cn2c(n1)COCC2
InChIInChI=1S/C14H12F3N3O2/c15-14(16,17)9-1-3-10(4-2-9)18-13(21)11-7-20-5-6-22-8-12(20)19-11/h1-4,7H,5-6,8H2,(H,18,21)
InChIKeyJGEOXSAJHAZORQ-UHFFFAOYSA-N
XLogP2.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide (CID 83278855) is N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cn2c(n1)COCC2.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is JGEOXSAJHAZORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c15-14(16,17)9-1-3-10(4-2-9)18-13(21)11-7-20-5-6-22-8-12(20)19-11/h1-4,7H,5-6,8H2,(H,18,21).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 311.26 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 83278855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).