2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide

C21H21N3O4 — CID 36743406

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccc(NC(=O)c2ccccc2OCc2c(C)noc2C)cc1
InChIInChI=1S/C21H21N3O4/c1-13-18(14(2)28-24-13)12-27-19-7-5-4-6-17(19)21(26)23-16-10-8-15(9-11-16)20(25)22-3/h4-11H,12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyITJHVRSHZSABNA-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.48
Rot. Bonds6

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide (PubChem CID 36743406) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide
PubChem CID36743406
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccc(NC(=O)c2ccccc2OCc2c(C)noc2C)cc1
InChIInChI=1S/C21H21N3O4/c1-13-18(14(2)28-24-13)12-27-19-7-5-4-6-17(19)21(26)23-16-10-8-15(9-11-16)20(25)22-3/h4-11H,12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyITJHVRSHZSABNA-UHFFFAOYSA-N
XLogP3.48
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 35828889
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 35892647
S-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56532884
N'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
CID 43005699
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-imidazol-1-ylphenyl)benzamide
CID 37182358
N-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9465498
N-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 36900169
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(hydroxymethyl)phenyl]benzamide
CID 112766562
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30548406
N-[4-(4-chloropyrazol-1-yl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 29097272
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 30533521
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide
CID 36859413

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide (CID 36743406) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide is CNC(=O)c1ccc(NC(=O)c2ccccc2OCc2c(C)noc2C)cc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is ITJHVRSHZSABNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-13-18(14(2)28-24-13)12-27-19-7-5-4-6-17(19)21(26)23-16-10-8-15(9-11-16)20(25)22-3/h4-11H,12H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 379.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 36743406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).