2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide

C16H16N2O3 — CID 106376081

IUPAC2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCc1ccc(C#CCO)c(C(=O)NCc2ncc(C)o2)c1
InChIInChI=1S/C16H16N2O3/c1-11-5-6-13(4-3-7-19)14(8-11)16(20)18-10-15-17-9-12(2)21-15/h5-6,8-9,19H,7,10H2,1-2H3,(H,18,20)
InChIKeyMLLYTDRTQFJPTG-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.57
Rot. Bonds3

About 2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide

2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide (PubChem CID 106376081) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
PubChem CID106376081
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCc1ccc(C#CCO)c(C(=O)NCc2ncc(C)o2)c1
InChIInChI=1S/C16H16N2O3/c1-11-5-6-13(4-3-7-19)14(8-11)16(20)18-10-15-17-9-12(2)21-15/h5-6,8-9,19H,7,10H2,1-2H3,(H,18,20)
InChIKeyMLLYTDRTQFJPTG-UHFFFAOYSA-N
XLogP1.57
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376120
2-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-5-methylbenzamide
CID 81112972
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-pyrimidin-5-ylbenzamide
CID 107589604
N-[2-(dimethylamino)-2-oxoethyl]-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
CID 81111802
4-(3-aminoprop-1-ynyl)-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376185
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 81112176
2,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 104919948
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 81112702
N-[2-(furan-2-yl)ethyl]-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
CID 81112689
N-(3-ethylpentan-3-yl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
CID 81111472
2-fluoro-4-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 104929891
5-fluoro-2-hydroxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 103739171

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
The IUPAC name of 2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide (CID 106376081) is 2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide is Cc1ccc(C#CCO)c(C(=O)NCc2ncc(C)o2)c1.
What is the InChIKey of 2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
The InChIKey is MLLYTDRTQFJPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-5-6-13(4-3-7-19)14(8-11)16(20)18-10-15-17-9-12(2)21-15/h5-6,8-9,19H,7,10H2,1-2H3,(H,18,20).
What are the key properties of 2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide?
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide has a molecular weight of 284.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide is sourced from PubChem (CID 106376081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).