N-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide

C17H14F6N4O2 — CID 121334295

IUPACN-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide
SMILESNC1=N[C@](CF)(c2cc(NC(=O)c3coc(C(F)F)n3)ccc2F)C(F)(F)CC1
InChIInChI=1S/C17H14F6N4O2/c18-7-16(17(22,23)4-3-12(24)27-16)9-5-8(1-2-10(9)19)25-14(28)11-6-29-15(26-11)13(20)21/h1-2,5-6,13H,3-4,7H2,(H2,24,27)(H,25,28)/t16-/m1/s1
InChIKeyGMRBDRHLQSXBSJ-MRXNPFEDSA-N
MW420.31 g/mol
LogP3.95
Rot. Bonds5

About N-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide

N-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 121334295) has the molecular formula C17H14F6N4O2 and a molecular weight of 420.31 g/mol. Its IUPAC name is N-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID121334295
Molecular FormulaC17H14F6N4O2
Molecular Weight420.31 g/mol
Exact Mass420.10
IUPAC NameN-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide
SMILESNC1=N[C@](CF)(c2cc(NC(=O)c3coc(C(F)F)n3)ccc2F)C(F)(F)CC1
InChIInChI=1S/C17H14F6N4O2/c18-7-16(17(22,23)4-3-12(24)27-16)9-5-8(1-2-10(9)19)25-14(28)11-6-29-15(26-11)13(20)21/h1-2,5-6,13H,3-4,7H2,(H2,24,27)(H,25,28)/t16-/m1/s1
InChIKeyGMRBDRHLQSXBSJ-MRXNPFEDSA-N
XLogP3.95
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide (CID 121334295) is N-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide is NC1=N[C@](CF)(c2cc(NC(=O)c3coc(C(F)F)n3)ccc2F)C(F)(F)CC1.
What is the InChIKey of N-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is GMRBDRHLQSXBSJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H14F6N4O2/c18-7-16(17(22,23)4-3-12(24)27-16)9-5-8(1-2-10(9)19)25-14(28)11-6-29-15(26-11)13(20)21/h1-2,5-6,13H,3-4,7H2,(H2,24,27)(H,25,28)/t16-/m1/s1.
What are the key properties of N-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide?
N-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 420.31 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-(difluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 121334295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).