4-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide

C20H17ClF3N3O4 — CID 56928597

IUPAC4-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(-c3ccc(Cl)cc3)c(O[C@@H](C)C(F)(F)F)cn2)on1
InChIInChI=1S/C20H17ClF3N3O4/c1-11(20(22,23)24)30-17-10-25-16(8-15(17)12-3-5-13(21)6-4-12)19(28)26-9-14-7-18(29-2)27-31-14/h3-8,10-11H,9H2,1-2H3,(H,26,28)/t11-/m0/s1
InChIKeyZCIGSQNTPGYVMJ-NSHDSACASA-N
MW455.82 g/mol
LogP4.66
Rot. Bonds7

About 4-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide

4-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide (PubChem CID 56928597) has the molecular formula C20H17ClF3N3O4 and a molecular weight of 455.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
PubChem CID56928597
Molecular FormulaC20H17ClF3N3O4
Molecular Weight455.82 g/mol
Exact Mass455.09
IUPAC Name4-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(-c3ccc(Cl)cc3)c(O[C@@H](C)C(F)(F)F)cn2)on1
InChIInChI=1S/C20H17ClF3N3O4/c1-11(20(22,23)24)30-17-10-25-16(8-15(17)12-3-5-13(21)6-4-12)19(28)26-9-14-7-18(29-2)27-31-14/h3-8,10-11H,9H2,1-2H3,(H,26,28)/t11-/m0/s1
InChIKeyZCIGSQNTPGYVMJ-NSHDSACASA-N
XLogP4.66
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.82
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide
CID 66687293
5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 56928594
4-(4-chlorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 56928692
5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]pyridazine-3-carboxamide
CID 56929003
4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide;4-(4-chlorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 159153975
5-chloro-3-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
CID 66692587
4-chloro-N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;ethane
CID 164564570
[4-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl] N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]carbamate
CID 118249779
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3238946
N-[(3-methoxy-1,2-oxazol-5-yl)methyl]but-2-ynamide
CID 146109155
1-[[5-[3-fluoro-2-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]urea
CID 70858834
5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 42527110

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide (CID 56928597) is 4-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide is COc1cc(CNC(=O)c2cc(-c3ccc(Cl)cc3)c(O[C@@H](C)C(F)(F)F)cn2)on1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The InChIKey is ZCIGSQNTPGYVMJ-NSHDSACASA-N. The full InChI is InChI=1S/C20H17ClF3N3O4/c1-11(20(22,23)24)30-17-10-25-16(8-15(17)12-3-5-13(21)6-4-12)19(28)26-9-14-7-18(29-2)27-31-14/h3-8,10-11H,9H2,1-2H3,(H,26,28)/t11-/m0/s1.
What are the key properties of 4-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
4-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide has a molecular weight of 455.82 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 56928597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).