N-[[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-6-methoxypyridine-3-carboxamide

C17H13F2N3O3 — CID 167821447

IUPACN-[[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2ncoc2-c2ccc(F)cc2F)cn1
InChIInChI=1S/C17H13F2N3O3/c1-24-15-5-2-10(7-20-15)17(23)21-8-14-16(25-9-22-14)12-4-3-11(18)6-13(12)19/h2-7,9H,8H2,1H3,(H,21,23)
InChIKeySXBLAPCRFWJFHQ-UHFFFAOYSA-N
MW345.31 g/mol
LogP2.95
Rot. Bonds5

About N-[[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-6-methoxypyridine-3-carboxamide

N-[[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-6-methoxypyridine-3-carboxamide (PubChem CID 167821447) has the molecular formula C17H13F2N3O3 and a molecular weight of 345.31 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-6-methoxypyridine-3-carboxamide
PubChem CID167821447
Molecular FormulaC17H13F2N3O3
Molecular Weight345.31 g/mol
Exact Mass345.09
IUPAC NameN-[[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2ncoc2-c2ccc(F)cc2F)cn1
InChIInChI=1S/C17H13F2N3O3/c1-24-15-5-2-10(7-20-15)17(23)21-8-14-16(25-9-22-14)12-4-3-11(18)6-13(12)19/h2-7,9H,8H2,1H3,(H,21,23)
InChIKeySXBLAPCRFWJFHQ-UHFFFAOYSA-N
XLogP2.95
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136619
N-[2-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 27019140
N-[1-(2,4-difluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 17494652
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
N-[[3-(hydroxymethyl)phenyl]methyl]-6-methoxypyridine-3-carboxamide
CID 63310970
2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136692
6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 27009221
5-(2-fluoro-4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
CID 57396563
2-[[5-(2,4-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid
CID 19768842
N-[[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]methyl]-6-methoxypyridine-3-carboxamide
CID 53156110
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 55152846
6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 27006412

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-6-methoxypyridine-3-carboxamide (CID 167821447) is N-[[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)NCc2ncoc2-c2ccc(F)cc2F)cn1.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is SXBLAPCRFWJFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3/c1-24-15-5-2-10(7-20-15)17(23)21-8-14-16(25-9-22-14)12-4-3-11(18)6-13(12)19/h2-7,9H,8H2,1H3,(H,21,23).
What are the key properties of N-[[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-6-methoxypyridine-3-carboxamide?
N-[[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 345.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 167821447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).