N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide

C15H18N2O2 — CID 42656369

IUPACN-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide
SMILESCCCN(Cc1cc(-c2ccccc2)on1)C(C)=O
InChIInChI=1S/C15H18N2O2/c1-3-9-17(12(2)18)11-14-10-15(19-16-14)13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3
InChIKeyBAJKHSDLOLGQCO-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.10
Rot. Bonds5

About N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide

N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide (PubChem CID 42656369) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide
PubChem CID42656369
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide
SMILESCCCN(Cc1cc(-c2ccccc2)on1)C(C)=O
InChIInChI=1S/C15H18N2O2/c1-3-9-17(12(2)18)11-14-10-15(19-16-14)13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3
InChIKeyBAJKHSDLOLGQCO-UHFFFAOYSA-N
XLogP3.10
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propylamino]ethanol
CID 60693417
3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 60988202
3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 61009666
2-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]ethanol
CID 60683924
2-chloro-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
CID 51070428
2-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62820490
3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid
CID 62825872
3-tert-butyl-1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-1-propylurea
CID 83281969
2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid
CID 60840315
N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propylbenzamide
CID 51070319
4-methyl-N-(2-methylpropyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 51070311
4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
CID 51070492

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide?
The IUPAC name of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide (CID 42656369) is N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide.
What is the SMILES notation for N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide?
The canonical SMILES for N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide is CCCN(Cc1cc(-c2ccccc2)on1)C(C)=O.
What is the InChIKey of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide?
The InChIKey is BAJKHSDLOLGQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-9-17(12(2)18)11-14-10-15(19-16-14)13-7-5-4-6-8-13/h4-8,10H,3,9,11H2,1-2H3.
What are the key properties of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide?
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide has a molecular weight of 258.32 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide is sourced from PubChem (CID 42656369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).