N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-5-(methoxymethyl)-1,2-oxazole-4-carboxamide

C17H14ClFN4O3 — CID 25156248

IUPACN-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-5-(methoxymethyl)-1,2-oxazole-4-carboxamide
SMILESCOCc1oncc1C(=O)Nc1ccc(-c2cc(F)ccc2Cl)c(N)n1
InChIInChI=1S/C17H14ClFN4O3/c1-25-8-14-12(7-21-26-14)17(24)23-15-5-3-10(16(20)22-15)11-6-9(19)2-4-13(11)18/h2-7H,8H2,1H3,(H3,20,22,23,24)
InChIKeyREVQDKXGOGJKGC-UHFFFAOYSA-N
MW376.78 g/mol
LogP3.51
Rot. Bonds5

About N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-5-(methoxymethyl)-1,2-oxazole-4-carboxamide

N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-5-(methoxymethyl)-1,2-oxazole-4-carboxamide (PubChem CID 25156248) has the molecular formula C17H14ClFN4O3 and a molecular weight of 376.78 g/mol. Its IUPAC name is N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-5-(methoxymethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-5-(methoxymethyl)-1,2-oxazole-4-carboxamide
PubChem CID25156248
Molecular FormulaC17H14ClFN4O3
Molecular Weight376.78 g/mol
Exact Mass376.07
IUPAC NameN-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-5-(methoxymethyl)-1,2-oxazole-4-carboxamide
SMILESCOCc1oncc1C(=O)Nc1ccc(-c2cc(F)ccc2Cl)c(N)n1
InChIInChI=1S/C17H14ClFN4O3/c1-25-8-14-12(7-21-26-14)17(24)23-15-5-3-10(16(20)22-15)11-6-9(19)2-4-13(11)18/h2-7H,8H2,1H3,(H3,20,22,23,24)
InChIKeyREVQDKXGOGJKGC-UHFFFAOYSA-N
XLogP3.51
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.78
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 25155703
N-[6-amino-5-[5-fluoro-2-(trifluoromethyl)phenyl]-2-pyridinyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 71111304
N-[6-amino-5-(2-chlorophenyl)-2-pyridinyl]-3-(methoxymethyl)-1,2-oxazole-5-carboxamide
CID 71111427
methyl 3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzoate
CID 58487144
N-(4-tert-butylphenyl)-5-(methoxymethyl)-1,2-oxazole-4-carboxamide
CID 54110516
N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-2-methylpropanamide
CID 122181200
N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-chlorobenzamide
CID 123596980
N-[6-amino-5-(2,3-dichloro-5-hydroxyphenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 71111478
N-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide
CID 58997299
N-[6-amino-5-(4-fluorophenyl)-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 71111296
N-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 16773048
N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-chlorobenzamide
CID 121381941

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-5-(methoxymethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-5-(methoxymethyl)-1,2-oxazole-4-carboxamide (CID 25156248) is N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-5-(methoxymethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-5-(methoxymethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-5-(methoxymethyl)-1,2-oxazole-4-carboxamide is COCc1oncc1C(=O)Nc1ccc(-c2cc(F)ccc2Cl)c(N)n1.
What is the InChIKey of N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-5-(methoxymethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is REVQDKXGOGJKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O3/c1-25-8-14-12(7-21-26-14)17(24)23-15-5-3-10(16(20)22-15)11-6-9(19)2-4-13(11)18/h2-7H,8H2,1H3,(H3,20,22,23,24).
What are the key properties of N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-5-(methoxymethyl)-1,2-oxazole-4-carboxamide?
N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-5-(methoxymethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 376.78 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(2-chloro-5-fluorophenyl)-2-pyridinyl]-5-(methoxymethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 25156248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).