2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-6-methylheptan-2-yl]benzamide

C21H30N2O3 — CID 29363899

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-6-methylheptan-2-yl]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)N[C@@H](C)CCCC(C)C
InChIInChI=1S/C21H30N2O3/c1-14(2)9-8-10-15(3)22-21(24)18-11-6-7-12-20(18)25-13-19-16(4)23-26-17(19)5/h6-7,11-12,14-15H,8-10,13H2,1-5H3,(H,22,24)/t15-/m0/s1
InChIKeyFXSXBWPEUUDQSF-HNNXBMFYSA-N
MW358.48 g/mol
LogP4.82
Rot. Bonds9

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-6-methylheptan-2-yl]benzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-6-methylheptan-2-yl]benzamide (PubChem CID 29363899) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-6-methylheptan-2-yl]benzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-6-methylheptan-2-yl]benzamide
PubChem CID29363899
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-6-methylheptan-2-yl]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)N[C@@H](C)CCCC(C)C
InChIInChI=1S/C21H30N2O3/c1-14(2)9-8-10-15(3)22-21(24)18-11-6-7-12-20(18)25-13-19-16(4)23-26-17(19)5/h6-7,11-12,14-15H,8-10,13H2,1-5H3,(H,22,24)/t15-/m0/s1
InChIKeyFXSXBWPEUUDQSF-HNNXBMFYSA-N
XLogP4.82
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2R)-6-methylheptan-2-yl]benzamide
CID 29363896
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 41042462
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 30479639
N-[1-(4-bromophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43006031
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 30823999
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 35892647
N-[1-(3,4-diethoxyphenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 24818183
N-(2-acetamidoethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43006676
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-prop-2-enylbenzamide
CID 30533521
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 36743406
N'-(4-bromobenzoyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
CID 43005699

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-6-methylheptan-2-yl]benzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-6-methylheptan-2-yl]benzamide (CID 29363899) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-6-methylheptan-2-yl]benzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-6-methylheptan-2-yl]benzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-6-methylheptan-2-yl]benzamide is Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H](C)CCCC(C)C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-6-methylheptan-2-yl]benzamide?
The InChIKey is FXSXBWPEUUDQSF-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-14(2)9-8-10-15(3)22-21(24)18-11-6-7-12-20(18)25-13-19-16(4)23-26-17(19)5/h6-7,11-12,14-15H,8-10,13H2,1-5H3,(H,22,24)/t15-/m0/s1.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-6-methylheptan-2-yl]benzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-6-methylheptan-2-yl]benzamide has a molecular weight of 358.48 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-6-methylheptan-2-yl]benzamide is sourced from PubChem (CID 29363899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).