N-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

C18H21F4N3O2 — CID 50992409

IUPACN-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC1(C)OCC(N)=N[C@]1(C)c1cc(NC(=O)C2(C(F)(F)F)CC2)ccc1F
InChIInChI=1S/C18H21F4N3O2/c1-15(2)16(3,25-13(23)9-27-15)11-8-10(4-5-12(11)19)24-14(26)17(6-7-17)18(20,21)22/h4-5,8H,6-7,9H2,1-3H3,(H2,23,25)(H,24,26)/t16-/m1/s1
InChIKeyYGRFVINZRVUSLS-MRXNPFEDSA-N
MW387.38 g/mol
LogP3.49
Rot. Bonds3

About N-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 50992409) has the molecular formula C18H21F4N3O2 and a molecular weight of 387.38 g/mol. Its IUPAC name is N-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID50992409
Molecular FormulaC18H21F4N3O2
Molecular Weight387.38 g/mol
Exact Mass387.16
IUPAC NameN-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC1(C)OCC(N)=N[C@]1(C)c1cc(NC(=O)C2(C(F)(F)F)CC2)ccc1F
InChIInChI=1S/C18H21F4N3O2/c1-15(2)16(3,25-13(23)9-27-15)11-8-10(4-5-12(11)19)24-14(26)17(6-7-17)18(20,21)22/h4-5,8H,6-7,9H2,1-3H3,(H2,23,25)(H,24,26)/t16-/m1/s1
InChIKeyYGRFVINZRVUSLS-MRXNPFEDSA-N
XLogP3.49
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 50992409) is N-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is CC1(C)OCC(N)=N[C@]1(C)c1cc(NC(=O)C2(C(F)(F)F)CC2)ccc1F.
What is the InChIKey of N-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is YGRFVINZRVUSLS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21F4N3O2/c1-15(2)16(3,25-13(23)9-27-15)11-8-10(4-5-12(11)19)24-14(26)17(6-7-17)18(20,21)22/h4-5,8H,6-7,9H2,1-3H3,(H2,23,25)(H,24,26)/t16-/m1/s1.
What are the key properties of N-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 387.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5R)-3-amino-5,6,6-trimethyl-2H-1,4-oxazin-5-yl]-4-fluorophenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 50992409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).