3-(dimethylamino)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide

C20H21N3O2 — CID 99710855

IUPAC3-(dimethylamino)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide
SMILESCc1coc(-c2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)n1
InChIInChI=1S/C20H21N3O2/c1-13-8-9-16(11-18(13)20-21-14(2)12-25-20)22-19(24)15-6-5-7-17(10-15)23(3)4/h5-12H,1-4H3,(H,22,24)
InChIKeyBAAORZWJYDIUGL-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.28
Rot. Bonds4

About 3-(dimethylamino)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide

3-(dimethylamino)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide (PubChem CID 99710855) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide
PubChem CID99710855
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-(dimethylamino)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide
SMILESCc1coc(-c2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)n1
InChIInChI=1S/C20H21N3O2/c1-13-8-9-16(11-18(13)20-21-14(2)12-25-20)22-19(24)15-6-5-7-17(10-15)23(3)4/h5-12H,1-4H3,(H,22,24)
InChIKeyBAAORZWJYDIUGL-UHFFFAOYSA-N
XLogP4.28
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 774880
N-cyclohexyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 3239761
N-benzyl-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide
CID 3243889
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 738665
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 1341154
2-chloro-N-(4-(2-phenyloxazol-4-yl)phenyl)benzamide
CID 44548378
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-butoxyphenyl)acetamide
CID 153526164
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 153526185
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 763443
2-Oxazolepropanamide, 4,5-diphenyl-
CID 212368
N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-methylbutanamide
CID 659922
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]butanamide
CID 833788

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide (CID 99710855) is 3-(dimethylamino)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide is Cc1coc(-c2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)n1.
What is the InChIKey of 3-(dimethylamino)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide?
The InChIKey is BAAORZWJYDIUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-8-9-16(11-18(13)20-21-14(2)12-25-20)22-19(24)15-6-5-7-17(10-15)23(3)4/h5-12H,1-4H3,(H,22,24).
What are the key properties of 3-(dimethylamino)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide?
3-(dimethylamino)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 99710855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).