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

C18H19F3N4O2 — CID 121334878

IUPACN-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)[C@](C)(F)C[C@@H]3F)c2)co1
InChIInChI=1S/C18H19F3N4O2/c1-9-23-13(8-27-9)15(26)24-10-4-5-12(19)11(6-10)18(3)14(20)7-17(2,21)16(22)25-18/h4-6,8,14H,7H2,1-3H3,(H2,22,25)(H,24,26)/t14-,17+,18+/m0/s1
InChIKeyDUWARKGMDBBTAR-BMGDILEWSA-N
MW380.37 g/mol
LogP3.42
Rot. Bonds3

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

N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 121334878) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID121334878
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC NameN-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)[C@](C)(F)C[C@@H]3F)c2)co1
InChIInChI=1S/C18H19F3N4O2/c1-9-23-13(8-27-9)15(26)24-10-4-5-12(19)11(6-10)18(3)14(20)7-17(2,21)16(22)25-18/h4-6,8,14H,7H2,1-3H3,(H2,22,25)(H,24,26)/t14-,17+,18+/m0/s1
InChIKeyDUWARKGMDBBTAR-BMGDILEWSA-N
XLogP3.42
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide (CID 121334878) is N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)[C@](C)(F)C[C@@H]3F)c2)co1.
What is the InChIKey of N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is DUWARKGMDBBTAR-BMGDILEWSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-9-23-13(8-27-9)15(26)24-10-4-5-12(19)11(6-10)18(3)14(20)7-17(2,21)16(22)25-18/h4-6,8,14H,7H2,1-3H3,(H2,22,25)(H,24,26)/t14-,17+,18+/m0/s1.
What are the key properties of N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide?
N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 121334878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).