4-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide

C17H22N2O3 — CID 56913040

IUPAC4-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESCN(Cc1ccno1)C(=O)c1ccc(CCC(C)(C)O)cc1
InChIInChI=1S/C17H22N2O3/c1-17(2,21)10-8-13-4-6-14(7-5-13)16(20)19(3)12-15-9-11-18-22-15/h4-7,9,11,21H,8,10,12H2,1-3H3
InChIKeyQDWYHMMGBPPFQH-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.65
Rot. Bonds6

About 4-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide

4-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide (PubChem CID 56913040) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
PubChem CID56913040
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name4-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESCN(Cc1ccno1)C(=O)c1ccc(CCC(C)(C)O)cc1
InChIInChI=1S/C17H22N2O3/c1-17(2,21)10-8-13-4-6-14(7-5-13)16(20)19(3)12-15-9-11-18-22-15/h4-7,9,11,21H,8,10,12H2,1-3H3
InChIKeyQDWYHMMGBPPFQH-UHFFFAOYSA-N
XLogP2.65
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
The IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide (CID 56913040) is 4-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide is CN(Cc1ccno1)C(=O)c1ccc(CCC(C)(C)O)cc1.
What is the InChIKey of 4-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
The InChIKey is QDWYHMMGBPPFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-17(2,21)10-8-13-4-6-14(7-5-13)16(20)19(3)12-15-9-11-18-22-15/h4-7,9,11,21H,8,10,12H2,1-3H3.
What are the key properties of 4-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
4-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide has a molecular weight of 302.37 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide is sourced from PubChem (CID 56913040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).