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

C17H22N2O3 — CID 2111790

IUPACN-tert-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H22N2O3/c1-11-15(12(2)22-19-11)10-21-14-8-6-7-13(9-14)16(20)18-17(3,4)5/h6-9H,10H2,1-5H3,(H,18,20)
InChIKeyUCQIKPKZZVEBNO-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.40
Rot. Bonds4

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

N-tert-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 2111790) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-tert-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID2111790
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-tert-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H22N2O3/c1-11-15(12(2)22-19-11)10-21-14-8-6-7-13(9-14)16(20)18-17(3,4)5/h6-9H,10H2,1-5H3,(H,18,20)
InChIKeyUCQIKPKZZVEBNO-UHFFFAOYSA-N
XLogP3.40
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 2466270
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide
CID 2534940
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide
CID 25163346
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-phenylbenzamide
CID 2574590
N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3686576
1-[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 4789023
1-Cyanoethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 5030119
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)benzamide
CID 24818340
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide
CID 2598908
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,4-dimethylphenyl)benzamide
CID 2998641
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-methylphenyl)benzamide
CID 2476863
N-(Butan-2-YL)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 4518585

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-tert-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 2111790) is N-tert-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-tert-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-tert-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is Cc1noc(C)c1COc1cccc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is UCQIKPKZZVEBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11-15(12(2)22-19-11)10-21-14-8-6-7-13(9-14)16(20)18-17(3,4)5/h6-9H,10H2,1-5H3,(H,18,20).
What are the key properties of N-tert-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-tert-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 302.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 2111790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).