3-(2,2-dimethylpropylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide

C17H23N3O2 — CID 75472679

IUPAC3-(2,2-dimethylpropylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESCc1c(NCC(C)(C)C)cccc1C(=O)NCc1ccno1
InChIInChI=1S/C17H23N3O2/c1-12-14(16(21)18-10-13-8-9-20-22-13)6-5-7-15(12)19-11-17(2,3)4/h5-9,19H,10-11H2,1-4H3,(H,18,21)
InChIKeyZHAZLLURCRRGHP-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.37
Rot. Bonds5

About 3-(2,2-dimethylpropylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide

3-(2,2-dimethylpropylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide (PubChem CID 75472679) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
PubChem CID75472679
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-(2,2-dimethylpropylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESCc1c(NCC(C)(C)C)cccc1C(=O)NCc1ccno1
InChIInChI=1S/C17H23N3O2/c1-12-14(16(21)18-10-13-8-9-20-22-13)6-5-7-15(12)19-11-17(2,3)4/h5-9,19H,10-11H2,1-4H3,(H,18,21)
InChIKeyZHAZLLURCRRGHP-UHFFFAOYSA-N
XLogP3.37
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106420098
2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600341
3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106423060
N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide
CID 106423406
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 104600464
1-tert-butyl-3-(1,2-oxazol-5-ylmethyl)urea
CID 106415604
2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185707
N-(1,2-oxazol-5-ylmethyl)-2-propan-2-yloxybenzamide
CID 122135765
2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide
CID 114186980
5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600436
2-methyl-N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-1-ylpropanamide
CID 119065059
2-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106422353

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
The IUPAC name of 3-(2,2-dimethylpropylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide (CID 75472679) is 3-(2,2-dimethylpropylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
The canonical SMILES for 3-(2,2-dimethylpropylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide is Cc1c(NCC(C)(C)C)cccc1C(=O)NCc1ccno1.
What is the InChIKey of 3-(2,2-dimethylpropylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
The InChIKey is ZHAZLLURCRRGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-14(16(21)18-10-13-8-9-20-22-13)6-5-7-15(12)19-11-17(2,3)4/h5-9,19H,10-11H2,1-4H3,(H,18,21).
What are the key properties of 3-(2,2-dimethylpropylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
3-(2,2-dimethylpropylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide has a molecular weight of 301.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide is sourced from PubChem (CID 75472679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).