N,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

C19H26N2O2 — CID 54770947

IUPACN,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCCCCN(CCCC)C(=O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C19H26N2O2/c1-3-5-12-21(13-6-4-2)18(22)14-17-15-23-19(20-17)16-10-8-7-9-11-16/h7-11,15H,3-6,12-14H2,1-2H3
InChIKeyIRRRXJSTJQYUER-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.31
Rot. Bonds9

About N,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide

N,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 54770947) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID54770947
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCCCCN(CCCC)C(=O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C19H26N2O2/c1-3-5-12-21(13-6-4-2)18(22)14-17-15-23-19(20-17)16-10-8-7-9-11-16/h7-11,15H,3-6,12-14H2,1-2H3
InChIKeyIRRRXJSTJQYUER-UHFFFAOYSA-N
XLogP4.31
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
N-methyl-N-[(2-methylphenyl)methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38036018
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51261970
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-ethylamino]acetic acid
CID 119206351
2-phenyl-4-propyl-1,3-oxazole
CID 23537835
N,N-diethyl-4-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 34318469
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39441815
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 109400323
N-(4-ethoxyphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34802338
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38011894
N-[[4-(dimethylamino)phenyl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55445900

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide (CID 54770947) is N,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is CCCCN(CCCC)C(=O)Cc1coc(-c2ccccc2)n1.
What is the InChIKey of N,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is IRRRXJSTJQYUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-5-12-21(13-6-4-2)18(22)14-17-15-23-19(20-17)16-10-8-7-9-11-16/h7-11,15H,3-6,12-14H2,1-2H3.
What are the key properties of N,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide?
N,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 314.43 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-(2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 54770947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).