4-(3-aminoprop-1-ynyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide

C16H17N3O2 — CID 106376208

IUPAC4-(3-aminoprop-1-ynyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2ccc(C#CCN)cc2)oc1C
InChIInChI=1S/C16H17N3O2/c1-11-12(2)21-15(19-11)10-18-16(20)14-7-5-13(6-8-14)4-3-9-17/h5-8H,9-10,17H2,1-2H3,(H,18,20)
InChIKeyLFFCCYYDBVLRQS-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.53
Rot. Bonds3

About 4-(3-aminoprop-1-ynyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide

4-(3-aminoprop-1-ynyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide (PubChem CID 106376208) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
PubChem CID106376208
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-(3-aminoprop-1-ynyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2ccc(C#CCN)cc2)oc1C
InChIInChI=1S/C16H17N3O2/c1-11-12(2)21-15(19-11)10-18-16(20)14-7-5-13(6-8-14)4-3-9-17/h5-8H,9-10,17H2,1-2H3,(H,18,20)
InChIKeyLFFCCYYDBVLRQS-UHFFFAOYSA-N
XLogP1.53
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-aminoprop-1-ynyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide with MolForge

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Related Compounds

4-(3-aminoprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376176
4-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 87043594
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-carboxamide
CID 47345026
4-(3-aminoprop-1-ynyl)-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309459
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzamide
CID 47345055
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 106376136
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 87043417
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide
CID 106377408
4-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 60822064
3-carbamothioyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106372305
4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide
CID 54922312
3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 47344966

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide (CID 106376208) is 4-(3-aminoprop-1-ynyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide is Cc1nc(CNC(=O)c2ccc(C#CCN)cc2)oc1C.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide?
The InChIKey is LFFCCYYDBVLRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-12(2)21-15(19-11)10-18-16(20)14-7-5-13(6-8-14)4-3-9-17/h5-8H,9-10,17H2,1-2H3,(H,18,20).
What are the key properties of 4-(3-aminoprop-1-ynyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide?
4-(3-aminoprop-1-ynyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide is sourced from PubChem (CID 106376208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).