4-[5-[2-[4-(3-fluoro-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide

C29H19F4N3O4 — CID 58263931

IUPAC4-[5-[2-[4-(3-fluoro-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(-c5cc(F)no5)c(C(F)(F)F)c4)cccc23)ccn1
InChIInChI=1S/C29H19F4N3O4/c1-34-28(38)23-14-17(10-11-35-23)39-25-7-3-4-18-19(5-2-6-20(18)25)24(37)13-16-8-9-21(22(12-16)29(31,32)33)26-15-27(30)36-40-26/h2-12,14-15H,13H2,1H3,(H,34,38)
InChIKeyVHWFNAPIFBKWJN-UHFFFAOYSA-N
MW549.48 g/mol
LogP6.62
Rot. Bonds7

About 4-[5-[2-[4-(3-fluoro-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide

4-[5-[2-[4-(3-fluoro-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 58263931) has the molecular formula C29H19F4N3O4 and a molecular weight of 549.48 g/mol. Its IUPAC name is 4-[5-[2-[4-(3-fluoro-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[5-[2-[4-(3-fluoro-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID58263931
Molecular FormulaC29H19F4N3O4
Molecular Weight549.48 g/mol
Exact Mass549.13
IUPAC Name4-[5-[2-[4-(3-fluoro-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(-c5cc(F)no5)c(C(F)(F)F)c4)cccc23)ccn1
InChIInChI=1S/C29H19F4N3O4/c1-34-28(38)23-14-17(10-11-35-23)39-25-7-3-4-18-19(5-2-6-20(18)25)24(37)13-16-8-9-21(22(12-16)29(31,32)33)26-15-27(30)36-40-26/h2-12,14-15H,13H2,1H3,(H,34,38)
InChIKeyVHWFNAPIFBKWJN-UHFFFAOYSA-N
XLogP6.62
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.48
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-{[7-({[3-(Aminomethyl)-5-(trifluoromethyl)phenyl]amino}carbonyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-N-methylpyridine-2-carboxamide
CID 23585320
Butan-2-yl 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalene-2-carboxylate
CID 132022575
Ethyl 6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalene-2-carboxylate
CID 132022576
Methyl 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalene-2-carboxylate
CID 132022577
Propan-2-yl 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalene-2-carboxylate
CID 132022580
Ethyl 7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]naphthalene-2-carboxylate
CID 132022595
N-[2-[[2,5-dimethyl-4-(pyridin-4-ylmethoxy)phenyl]methylamino]-1-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 127046003
N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-pyridin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 127046570
4-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butoxy]-N-methylpyridine-2-carboxamide
CID 145964299
N-ethyl-4-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butoxy]pyridine-2-carboxamide
CID 145967359
US9877957, Example 80
CID 118930612
N-[(1R)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214128

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-[4-(3-fluoro-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[5-[2-[4-(3-fluoro-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide (CID 58263931) is 4-[5-[2-[4-(3-fluoro-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[5-[2-[4-(3-fluoro-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[5-[2-[4-(3-fluoro-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(-c5cc(F)no5)c(C(F)(F)F)c4)cccc23)ccn1.
What is the InChIKey of 4-[5-[2-[4-(3-fluoro-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is VHWFNAPIFBKWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19F4N3O4/c1-34-28(38)23-14-17(10-11-35-23)39-25-7-3-4-18-19(5-2-6-20(18)25)24(37)13-16-8-9-21(22(12-16)29(31,32)33)26-15-27(30)36-40-26/h2-12,14-15H,13H2,1H3,(H,34,38).
What are the key properties of 4-[5-[2-[4-(3-fluoro-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide?
4-[5-[2-[4-(3-fluoro-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 549.48 g/mol, XLogP of 6.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-[4-(3-fluoro-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 58263931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).