[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-(5-cyclopropyl-1,3-oxazole-4-carbonyl)carbamic acid

C19H17F3N4O5 — CID 53241301

IUPAC[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-(5-cyclopropyl-1,3-oxazole-4-carbonyl)carbamic acid
SMILESC[C@]1(c2cc(N(C(=O)O)C(=O)c3ncoc3C3CC3)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C19H17F3N4O5/c1-18(19(21,22)7-30-16(23)25-18)11-6-10(4-5-12(11)20)26(17(28)29)15(27)13-14(9-2-3-9)31-8-24-13/h4-6,8-9H,2-3,7H2,1H3,(H2,23,25)(H,28,29)/t18-/m1/s1
InChIKeyUVNBCWMORDMGDC-GOSISDBHSA-N
MW438.36 g/mol
LogP3.21
Rot. Bonds4

About [3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-(5-cyclopropyl-1,3-oxazole-4-carbonyl)carbamic acid

[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-(5-cyclopropyl-1,3-oxazole-4-carbonyl)carbamic acid (PubChem CID 53241301) has the molecular formula C19H17F3N4O5 and a molecular weight of 438.36 g/mol. Its IUPAC name is [3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-(5-cyclopropyl-1,3-oxazole-4-carbonyl)carbamic acid.

Molecular Properties

Compound Name[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-(5-cyclopropyl-1,3-oxazole-4-carbonyl)carbamic acid
PubChem CID53241301
Molecular FormulaC19H17F3N4O5
Molecular Weight438.36 g/mol
Exact Mass438.12
IUPAC Name[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-(5-cyclopropyl-1,3-oxazole-4-carbonyl)carbamic acid
SMILESC[C@]1(c2cc(N(C(=O)O)C(=O)c3ncoc3C3CC3)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C19H17F3N4O5/c1-18(19(21,22)7-30-16(23)25-18)11-6-10(4-5-12(11)20)26(17(28)29)15(27)13-14(9-2-3-9)31-8-24-13/h4-6,8-9H,2-3,7H2,1H3,(H2,23,25)(H,28,29)/t18-/m1/s1
InChIKeyUVNBCWMORDMGDC-GOSISDBHSA-N
XLogP3.21
TPSA131.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-(5-cyclopropyl-1,3-oxazole-4-carbonyl)carbamic acid with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide
CID 67232798
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 67234953
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1,3-oxazole-4-carboxamide
CID 53241006
N-[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]-4-chloro-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 67233228
N-[2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]propan-2-yl]-1,3-oxazole-4-carboxamide
CID 67254811
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-chloropyridine-2-carboxamide
CID 53241711
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-chloro-3-fluoropyridine-2-carboxamide
CID 53241934
N-[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]-3,5-dichloropyrazine-2-carboxamide
CID 57480381
N-[[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]methyl]-1,2-oxazole-3-carboxamide
CID 67252603
2-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(4-methyl-2H-pyrrol-3-yl)ethanone
CID 58304177
(4R)-5,5-difluoro-4-[2-fluoro-5-(oxolan-3-ylmethylamino)phenyl]-4-methyl-6H-1,3-oxazin-2-amine
CID 71008966
N-[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]-3-(furan-2-yl)prop-2-enamide
CID 67233464

Frequently Asked Questions

What is the IUPAC name of [3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-(5-cyclopropyl-1,3-oxazole-4-carbonyl)carbamic acid?
The IUPAC name of [3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-(5-cyclopropyl-1,3-oxazole-4-carbonyl)carbamic acid (CID 53241301) is [3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-(5-cyclopropyl-1,3-oxazole-4-carbonyl)carbamic acid.
What is the SMILES notation for [3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-(5-cyclopropyl-1,3-oxazole-4-carbonyl)carbamic acid?
The canonical SMILES for [3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-(5-cyclopropyl-1,3-oxazole-4-carbonyl)carbamic acid is C[C@]1(c2cc(N(C(=O)O)C(=O)c3ncoc3C3CC3)ccc2F)N=C(N)OCC1(F)F.
What is the InChIKey of [3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-(5-cyclopropyl-1,3-oxazole-4-carbonyl)carbamic acid?
The InChIKey is UVNBCWMORDMGDC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H17F3N4O5/c1-18(19(21,22)7-30-16(23)25-18)11-6-10(4-5-12(11)20)26(17(28)29)15(27)13-14(9-2-3-9)31-8-24-13/h4-6,8-9H,2-3,7H2,1H3,(H2,23,25)(H,28,29)/t18-/m1/s1.
What are the key properties of [3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-(5-cyclopropyl-1,3-oxazole-4-carbonyl)carbamic acid?
[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-(5-cyclopropyl-1,3-oxazole-4-carbonyl)carbamic acid has a molecular weight of 438.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-(5-cyclopropyl-1,3-oxazole-4-carbonyl)carbamic acid is sourced from PubChem (CID 53241301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).