N-[3-[(1R,5S,7R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[5.2.0]non-3-en-5-yl]-4-fluorophenyl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide

C19H18F4N4O3 — CID 144698646

IUPACN-[3-[(1R,5S,7R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[5.2.0]non-3-en-5-yl]-4-fluorophenyl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide
SMILESNC1=N[C@@](c2cc(NC(=O)c3coc(CF)n3)ccc2F)(C(F)F)C[C@H]2CC[C@H]2O1
InChIInChI=1S/C19H18F4N4O3/c20-7-15-26-13(8-29-15)16(28)25-10-2-3-12(21)11(5-10)19(17(22)23)6-9-1-4-14(9)30-18(24)27-19/h2-3,5,8-9,14,17H,1,4,6-7H2,(H2,24,27)(H,25,28)/t9-,14-,19+/m1/s1
InChIKeyPSZAOWVVMPUXEF-XOGXVMKQSA-N
MW426.37 g/mol
LogP3.51
Rot. Bonds5

About N-[3-[(1R,5S,7R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[5.2.0]non-3-en-5-yl]-4-fluorophenyl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide

N-[3-[(1R,5S,7R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[5.2.0]non-3-en-5-yl]-4-fluorophenyl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 144698646) has the molecular formula C19H18F4N4O3 and a molecular weight of 426.37 g/mol. Its IUPAC name is N-[3-[(1R,5S,7R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[5.2.0]non-3-en-5-yl]-4-fluorophenyl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(1R,5S,7R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[5.2.0]non-3-en-5-yl]-4-fluorophenyl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID144698646
Molecular FormulaC19H18F4N4O3
Molecular Weight426.37 g/mol
Exact Mass426.13
IUPAC NameN-[3-[(1R,5S,7R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[5.2.0]non-3-en-5-yl]-4-fluorophenyl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide
SMILESNC1=N[C@@](c2cc(NC(=O)c3coc(CF)n3)ccc2F)(C(F)F)C[C@H]2CC[C@H]2O1
InChIInChI=1S/C19H18F4N4O3/c20-7-15-26-13(8-29-15)16(28)25-10-2-3-12(21)11(5-10)19(17(22)23)6-9-1-4-14(9)30-18(24)27-19/h2-3,5,8-9,14,17H,1,4,6-7H2,(H2,24,27)(H,25,28)/t9-,14-,19+/m1/s1
InChIKeyPSZAOWVVMPUXEF-XOGXVMKQSA-N
XLogP3.51
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(1R,5S,7R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[5.2.0]non-3-en-5-yl]-4-fluorophenyl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-ethyl-1,3-oxazole-4-carboxamide
CID 66666245
N-[3-[(4S,6S)-2-amino-4-(difluoromethyl)-6-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 118399717
N-[3-[(1R,5S,6R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-2-(1-fluoroethyl)-1,3-oxazole-4-carboxamide
CID 90412782
N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 140586555
N-[3-[3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.2.0]oct-3-en-5-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 123540419
N-[3-[(4S)-2-amino-4-(difluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyrazine-2-carboxamide
CID 74222189
N-[3-[(4S)-2-amino-4-(difluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
CID 74222187
N-[3-[(4S,4aR,7aR)-2-amino-6,6-difluoro-4-(fluoromethyl)-4a,5,7,7a-tetrahydrocyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 71516862
N-[3-[(4S,4aR,7aR)-2-amino-6,6-difluoro-4-(fluoromethyl)-4a,5,7,7a-tetrahydrocyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
CID 71516975
N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-chloropyrazine-2-carboxamide
CID 87096366
N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 50914687
N-[3-[(4S,7R,8aR)-2-amino-4-(fluoromethyl)-7-methyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 166685674

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R,5S,7R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[5.2.0]non-3-en-5-yl]-4-fluorophenyl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-[(1R,5S,7R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[5.2.0]non-3-en-5-yl]-4-fluorophenyl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide (CID 144698646) is N-[3-[(1R,5S,7R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[5.2.0]non-3-en-5-yl]-4-fluorophenyl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[(1R,5S,7R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[5.2.0]non-3-en-5-yl]-4-fluorophenyl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[(1R,5S,7R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[5.2.0]non-3-en-5-yl]-4-fluorophenyl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide is NC1=N[C@@](c2cc(NC(=O)c3coc(CF)n3)ccc2F)(C(F)F)C[C@H]2CC[C@H]2O1.
What is the InChIKey of N-[3-[(1R,5S,7R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[5.2.0]non-3-en-5-yl]-4-fluorophenyl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is PSZAOWVVMPUXEF-XOGXVMKQSA-N. The full InChI is InChI=1S/C19H18F4N4O3/c20-7-15-26-13(8-29-15)16(28)25-10-2-3-12(21)11(5-10)19(17(22)23)6-9-1-4-14(9)30-18(24)27-19/h2-3,5,8-9,14,17H,1,4,6-7H2,(H2,24,27)(H,25,28)/t9-,14-,19+/m1/s1.
What are the key properties of N-[3-[(1R,5S,7R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[5.2.0]non-3-en-5-yl]-4-fluorophenyl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide?
N-[3-[(1R,5S,7R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[5.2.0]non-3-en-5-yl]-4-fluorophenyl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 426.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R,5S,7R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[5.2.0]non-3-en-5-yl]-4-fluorophenyl]-2-(fluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 144698646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).