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

C22H29N3O4 — CID 55768186

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide
SMILESCCNC(=O)C1(NC(=O)c2cccc(OCc3c(C)noc3C)c2)CCCCC1
InChIInChI=1S/C22H29N3O4/c1-4-23-21(27)22(11-6-5-7-12-22)24-20(26)17-9-8-10-18(13-17)28-14-19-15(2)25-29-16(19)3/h8-10,13H,4-7,11-12,14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyPTPQTYGYYSZODL-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.44
Rot. Bonds7

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide (PubChem CID 55768186) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide
PubChem CID55768186
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide
SMILESCCNC(=O)C1(NC(=O)c2cccc(OCc3c(C)noc3C)c2)CCCCC1
InChIInChI=1S/C22H29N3O4/c1-4-23-21(27)22(11-6-5-7-12-22)24-20(26)17-9-8-10-18(13-17)28-14-19-15(2)25-29-16(19)3/h8-10,13H,4-7,11-12,14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyPTPQTYGYYSZODL-UHFFFAOYSA-N
XLogP3.44
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46414762
N-[2-(cyclopropanecarbonylamino)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 32969083
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 29332836
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide
CID 8839301
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733641
N-[1-(diethylcarbamoyl)cyclohexyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 55982175
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828194
N'-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9401355
methyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate
CID 2530370
methyl (2R)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-hydroxypropanoate
CID 9277736
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 55846787
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 17441984

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide (CID 55768186) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide is CCNC(=O)C1(NC(=O)c2cccc(OCc3c(C)noc3C)c2)CCCCC1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide?
The InChIKey is PTPQTYGYYSZODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-4-23-21(27)22(11-6-5-7-12-22)24-20(26)17-9-8-10-18(13-17)28-14-19-15(2)25-29-16(19)3/h8-10,13H,4-7,11-12,14H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(ethylcarbamoyl)cyclohexyl]benzamide has a molecular weight of 399.49 g/mol, XLogP of 3.44, 7 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-[1-(ethylcarbamoyl)cyclohexyl]benzamide is sourced from PubChem (CID 55768186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).