N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide

C18H15BrN4O3 — CID 112838821

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)c1cc(-c2ccncc2)on1
InChIInChI=1S/C18H15BrN4O3/c1-11-8-13(19)2-3-14(11)22-17(24)10-21-18(25)15-9-16(26-23-15)12-4-6-20-7-5-12/h2-9H,10H2,1H3,(H,21,25)(H,22,24)
InChIKeyOYYUIVHEOLPQRB-UHFFFAOYSA-N
MW415.25 g/mol
LogP3.18
Rot. Bonds5

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide (PubChem CID 112838821) has the molecular formula C18H15BrN4O3 and a molecular weight of 415.25 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
PubChem CID112838821
Molecular FormulaC18H15BrN4O3
Molecular Weight415.25 g/mol
Exact Mass414.03
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)c1cc(-c2ccncc2)on1
InChIInChI=1S/C18H15BrN4O3/c1-11-8-13(19)2-3-14(11)22-17(24)10-21-18(25)15-9-16(26-23-15)12-4-6-20-7-5-12/h2-9H,10H2,1H3,(H,21,25)(H,22,24)
InChIKeyOYYUIVHEOLPQRB-UHFFFAOYSA-N
XLogP3.18
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.25
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26070999
N-[2-(2-ethylanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51262131
3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 18135661
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 27162055
N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 119630359
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31305423
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 27781463
N-(4-bromo-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 110676567
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 27781375
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,4,5-trichloropyridine-2-carboxamide
CID 16548195
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 31367998

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide (CID 112838821) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide is Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc(-c2ccncc2)on1.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The InChIKey is OYYUIVHEOLPQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O3/c1-11-8-13(19)2-3-14(11)22-17(24)10-21-18(25)15-9-16(26-23-15)12-4-6-20-7-5-12/h2-9H,10H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide has a molecular weight of 415.25 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 112838821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).