methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate

C16H11F2N3O3 — CID 155585480

IUPACmethyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Nc2ncc(-c3ccc(F)c(F)c3)o2)cn1
InChIInChI=1S/C16H11F2N3O3/c1-23-15(22)13-5-3-10(7-19-13)21-16-20-8-14(24-16)9-2-4-11(17)12(18)6-9/h2-8H,1H3,(H,20,21)
InChIKeyUQZLWKVVUKTQKB-UHFFFAOYSA-N
MW331.28 g/mol
LogP3.55
Rot. Bonds4

About methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate

methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate (PubChem CID 155585480) has the molecular formula C16H11F2N3O3 and a molecular weight of 331.28 g/mol. Its IUPAC name is methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate
PubChem CID155585480
Molecular FormulaC16H11F2N3O3
Molecular Weight331.28 g/mol
Exact Mass331.08
IUPAC Namemethyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Nc2ncc(-c3ccc(F)c(F)c3)o2)cn1
InChIInChI=1S/C16H11F2N3O3/c1-23-15(22)13-5-3-10(7-19-13)21-16-20-8-14(24-16)9-2-4-11(17)12(18)6-9/h2-8H,1H3,(H,20,21)
InChIKeyUQZLWKVVUKTQKB-UHFFFAOYSA-N
XLogP3.55
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate with MolForge

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Related Compounds

5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 172942272
methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate
CID 139441240
methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate
CID 139441273
N-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
CID 155585279
methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate
CID 139512431
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139441300
5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109200977
N-(2-oxoethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
CID 167659066
4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid
CID 166108179
methyl 5-chloropyridine-2-carboxylate
CID 11298216
5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 155585247

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate (CID 155585480) is methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate is COC(=O)c1ccc(Nc2ncc(-c3ccc(F)c(F)c3)o2)cn1.
What is the InChIKey of methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate?
The InChIKey is UQZLWKVVUKTQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O3/c1-23-15(22)13-5-3-10(7-19-13)21-16-20-8-14(24-16)9-2-4-11(17)12(18)6-9/h2-8H,1H3,(H,20,21).
What are the key properties of methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate?
methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate has a molecular weight of 331.28 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 155585480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).