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

C19H23N3O4 — CID 51114950

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-oxoazepan-3-yl)benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)NC2CCCCNC2=O)c1
InChIInChI=1S/C19H23N3O4/c1-12-16(13(2)26-22-12)11-25-15-7-5-6-14(10-15)18(23)21-17-8-3-4-9-20-19(17)24/h5-7,10,17H,3-4,8-9,11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyYXODKSMLCQRUJI-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.27
Rot. Bonds5

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-oxoazepan-3-yl)benzamide (PubChem CID 51114950) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-oxoazepan-3-yl)benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-oxoazepan-3-yl)benzamide
PubChem CID51114950
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-oxoazepan-3-yl)benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)NC2CCCCNC2=O)c1
InChIInChI=1S/C19H23N3O4/c1-12-16(13(2)26-22-12)11-25-15-7-5-6-14(10-15)18(23)21-17-8-3-4-9-20-19(17)24/h5-7,10,17H,3-4,8-9,11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyYXODKSMLCQRUJI-UHFFFAOYSA-N
XLogP2.27
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-oxopiperidin-3-yl)benzamide
CID 47086063
3-methoxy-N-(2-oxoazepan-3-yl)benzamide
CID 15069514
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-methylpiperidin-3-yl)benzamide
CID 71938524
N-[2-(cyclopropanecarbonylamino)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 32969083
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7269971
N'-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9401355
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472943
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide
CID 8839301
(4-cyclopentylpiperazin-1-yl)-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 134020443
3-methyl-N-[(3R)-2-oxoazepan-3-yl]-5-(phenoxymethyl)furan-2-carboxamide
CID 95120272
2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide
CID 114325785
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methoxymethyl)phenyl]benzamide
CID 55714868

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-oxoazepan-3-yl)benzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-oxoazepan-3-yl)benzamide (CID 51114950) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-oxoazepan-3-yl)benzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-oxoazepan-3-yl)benzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-oxoazepan-3-yl)benzamide is Cc1noc(C)c1COc1cccc(C(=O)NC2CCCCNC2=O)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-oxoazepan-3-yl)benzamide?
The InChIKey is YXODKSMLCQRUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12-16(13(2)26-22-12)11-25-15-7-5-6-14(10-15)18(23)21-17-8-3-4-9-20-19(17)24/h5-7,10,17H,3-4,8-9,11H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-oxoazepan-3-yl)benzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-oxoazepan-3-yl)benzamide has a molecular weight of 357.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-oxoazepan-3-yl)benzamide is sourced from PubChem (CID 51114950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).