2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-cyanophenyl)acetamide

C19H14BrN3O2 — CID 110428424

IUPAC2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-cyanophenyl)acetamide
SMILESCc1oc(-c2cccc(Br)c2)nc1CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C19H14BrN3O2/c1-12-17(23-19(25-12)13-6-4-7-15(20)9-13)10-18(24)22-16-8-3-2-5-14(16)11-21/h2-9H,10H2,1H3,(H,22,24)
InChIKeyKUBKTPOYCOHXPV-UHFFFAOYSA-N
MW396.24 g/mol
LogP4.47
Rot. Bonds4

About 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-cyanophenyl)acetamide

2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-cyanophenyl)acetamide (PubChem CID 110428424) has the molecular formula C19H14BrN3O2 and a molecular weight of 396.24 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-cyanophenyl)acetamide
PubChem CID110428424
Molecular FormulaC19H14BrN3O2
Molecular Weight396.24 g/mol
Exact Mass395.03
IUPAC Name2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-cyanophenyl)acetamide
SMILESCc1oc(-c2cccc(Br)c2)nc1CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C19H14BrN3O2/c1-12-17(23-19(25-12)13-6-4-7-15(20)9-13)10-18(24)22-16-8-3-2-5-14(16)11-21/h2-9H,10H2,1H3,(H,22,24)
InChIKeyKUBKTPOYCOHXPV-UHFFFAOYSA-N
XLogP4.47
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-fluorophenyl)acetamide
CID 110420304
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 110420420
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-naphthalen-1-ylacetamide
CID 16614398
N-(2-methoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356012
N-(2-bromophenyl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
CID 110371988
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N,N-diethylacetamide
CID 110414855
N-(2-ethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110422110
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-quinolin-8-ylacetamide
CID 16622456
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 110425209
N-ethyl-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 46514633
N-[2,5-dimethoxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]benzamide
CID 16614507
N-(2,5-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356048

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-cyanophenyl)acetamide (CID 110428424) is 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-cyanophenyl)acetamide is Cc1oc(-c2cccc(Br)c2)nc1CC(=O)Nc1ccccc1C#N.
What is the InChIKey of 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-cyanophenyl)acetamide?
The InChIKey is KUBKTPOYCOHXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O2/c1-12-17(23-19(25-12)13-6-4-7-15(20)9-13)10-18(24)22-16-8-3-2-5-14(16)11-21/h2-9H,10H2,1H3,(H,22,24).
What are the key properties of 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-cyanophenyl)acetamide?
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-cyanophenyl)acetamide has a molecular weight of 396.24 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 110428424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).