N-(5-chloro-2-pyridinyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide

C17H13ClFN3O3 — CID 19445278

IUPACN-(5-chloro-2-pyridinyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(Cl)cn2)c1COc1ccc(F)cc1
InChIInChI=1S/C17H13ClFN3O3/c1-10-14(9-24-13-5-3-12(19)4-6-13)16(22-25-10)17(23)21-15-7-2-11(18)8-20-15/h2-8H,9H2,1H3,(H,20,21,23)
InChIKeyWQYOSLUMOJWDIY-UHFFFAOYSA-N
MW361.76 g/mol
LogP4.00
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-(5-chloro-2-pyridinyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 19445278) has the molecular formula C17H13ClFN3O3 and a molecular weight of 361.76 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID19445278
Molecular FormulaC17H13ClFN3O3
Molecular Weight361.76 g/mol
Exact Mass361.06
IUPAC NameN-(5-chloro-2-pyridinyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccc(Cl)cn2)c1COc1ccc(F)cc1
InChIInChI=1S/C17H13ClFN3O3/c1-10-14(9-24-13-5-3-12(19)4-6-13)16(22-25-10)17(23)21-15-7-2-11(18)8-20-15/h2-8H,9H2,1H3,(H,20,21,23)
InChIKeyWQYOSLUMOJWDIY-UHFFFAOYSA-N
XLogP4.00
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chlorophenoxy)methyl]-N-(2,5-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443644
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445238
4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 19445250
N-(5-chloro-2-pyridinyl)-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484152
4-[(4-chlorophenoxy)methyl]-N-(4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443709
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443749
N-(5-chloro-2-methylphenyl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443593
4-[(4-fluorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445267
N-(4-acetylphenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445305
4-[(4-chlorophenoxy)methyl]-N-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443637
N-(3-chloro-2-methylphenyl)-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443591
4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide
CID 19445338

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 19445278) is N-(5-chloro-2-pyridinyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2ccc(Cl)cn2)c1COc1ccc(F)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is WQYOSLUMOJWDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3/c1-10-14(9-24-13-5-3-12(19)4-6-13)16(22-25-10)17(23)21-15-7-2-11(18)8-20-15/h2-8H,9H2,1H3,(H,20,21,23).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-(5-chloro-2-pyridinyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 361.76 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19445278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).