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

C17H16F4N4O2 — CID 121334294

IUPACN-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)c([C@@]3(CF)N=C(N)CCC3(F)F)c2)co1
InChIInChI=1S/C17H16F4N4O2/c1-9-23-13(7-27-9)15(26)24-10-2-3-12(19)11(6-10)16(8-18)17(20,21)5-4-14(22)25-16/h2-3,6-7H,4-5,8H2,1H3,(H2,22,25)(H,24,26)/t16-/m1/s1
InChIKeyPKUJERONITWLTF-MRXNPFEDSA-N
MW384.33 g/mol
LogP3.33
Rot. Bonds4

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

N-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 121334294) has the molecular formula C17H16F4N4O2 and a molecular weight of 384.33 g/mol. Its IUPAC name is N-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-methyl-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-methyl-1,3-oxazole-4-carboxamide
PubChem CID121334294
Molecular FormulaC17H16F4N4O2
Molecular Weight384.33 g/mol
Exact Mass384.12
IUPAC NameN-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)c([C@@]3(CF)N=C(N)CCC3(F)F)c2)co1
InChIInChI=1S/C17H16F4N4O2/c1-9-23-13(7-27-9)15(26)24-10-2-3-12(19)11(6-10)16(8-18)17(20,21)5-4-14(22)25-16/h2-3,6-7H,4-5,8H2,1H3,(H2,22,25)(H,24,26)/t16-/m1/s1
InChIKeyPKUJERONITWLTF-MRXNPFEDSA-N
XLogP3.33
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 53.33
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-methyl-1,3-oxazole-4-carboxamide with MolForge

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

Launch Full Analysis

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-methyl-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-methyl-1,3-oxazole-4-carboxamide (CID 121334294) is N-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-methyl-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-methyl-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-methyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(F)c([C@@]3(CF)N=C(N)CCC3(F)F)c2)co1.
What is the InChIKey of N-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is PKUJERONITWLTF-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16F4N4O2/c1-9-23-13(7-27-9)15(26)24-10-2-3-12(19)11(6-10)16(8-18)17(20,21)5-4-14(22)25-16/h2-3,6-7H,4-5,8H2,1H3,(H2,22,25)(H,24,26)/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-methyl-1,3-oxazole-4-carboxamide?
N-[3-[(6S)-2-amino-5,5-difluoro-6-(fluoromethyl)-3,4-dihydropyridin-6-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 384.33 g/mol, XLogP of 3.33, 4 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-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 121334294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).