3-acetyl-5-(1,3-oxazol-2-yl)-N,N-dipropylbenzamide

C18H22N2O3 — CID 21062892

IUPAC3-acetyl-5-(1,3-oxazol-2-yl)-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cc(C(C)=O)cc(-c2ncco2)c1
InChIInChI=1S/C18H22N2O3/c1-4-7-20(8-5-2)18(22)16-11-14(13(3)21)10-15(12-16)17-19-6-9-23-17/h6,9-12H,4-5,7-8H2,1-3H3
InChIKeyVKQMQFMVMBQRKM-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.81
Rot. Bonds7

About 3-acetyl-5-(1,3-oxazol-2-yl)-N,N-dipropylbenzamide

3-acetyl-5-(1,3-oxazol-2-yl)-N,N-dipropylbenzamide (PubChem CID 21062892) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-acetyl-5-(1,3-oxazol-2-yl)-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-acetyl-5-(1,3-oxazol-2-yl)-N,N-dipropylbenzamide
PubChem CID21062892
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-acetyl-5-(1,3-oxazol-2-yl)-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cc(C(C)=O)cc(-c2ncco2)c1
InChIInChI=1S/C18H22N2O3/c1-4-7-20(8-5-2)18(22)16-11-14(13(3)21)10-15(12-16)17-19-6-9-23-17/h6,9-12H,4-5,7-8H2,1-3H3
InChIKeyVKQMQFMVMBQRKM-UHFFFAOYSA-N
XLogP3.81
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 5-(1,3-oxazol-2-yl)benzene-1,3-dicarboxylate
CID 11379968
1-N-[3-amino-1-(3,5-difluorophenyl)-4-[(4-ethyl-2-pyridinyl)methoxy]butan-2-yl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 70990432
1-N-[1-(3,5-difluorophenyl)-3-hydroxy-4-(pyridin-2-ylmethylamino)butan-2-yl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 72651283
3-N-[4-[3-[(3S)-4-[(5-ethyl-3-pyridinyl)methylamino]-3-hydroxybutyl]-5-fluorophenoxy]butyl]-5-(1,3-oxazol-2-yl)-3-N-propylbenzene-1,3-dicarboxamide
CID 142195217
1-N-[2-amino-3-[(3-ethylphenyl)methoxy]propyl]-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;ethane;[(3E,5Z)-5-methylhepta-3,5-dien-3-yl]phosphane
CID 142873870
1-N-[(2S,3R)-4-[[3-(diethylamino)phenyl]methylamino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-1-N-methyl-5-(1,3-oxazol-2-yl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 142241815
2-N,2-N,4-N,4-N-tetrapropylpyridine-2,4-dicarboxamide
CID 109090449
3-N-[[1-[(2R)-1-amino-2-(3,5-difluorophenyl)cyclopropyl]cyclopropyl]methyl]-5-(1,3-oxazol-2-yl)-1-N,1-N-dipropyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,3-dicarboxamide
CID 142872216
[(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-ethynylphenyl)methylamino]butan-2-yl] 3-(dipropylcarbamoyl)-5-(1,3-oxazol-2-yl)benzoate
CID 10326641
3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide
CID 21086057
2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide
CID 113277709
3-methyl-5-(1,3-oxazol-2-yl)benzamide
CID 142673231

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-(1,3-oxazol-2-yl)-N,N-dipropylbenzamide?
The IUPAC name of 3-acetyl-5-(1,3-oxazol-2-yl)-N,N-dipropylbenzamide (CID 21062892) is 3-acetyl-5-(1,3-oxazol-2-yl)-N,N-dipropylbenzamide.
What is the SMILES notation for 3-acetyl-5-(1,3-oxazol-2-yl)-N,N-dipropylbenzamide?
The canonical SMILES for 3-acetyl-5-(1,3-oxazol-2-yl)-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cc(C(C)=O)cc(-c2ncco2)c1.
What is the InChIKey of 3-acetyl-5-(1,3-oxazol-2-yl)-N,N-dipropylbenzamide?
The InChIKey is VKQMQFMVMBQRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-7-20(8-5-2)18(22)16-11-14(13(3)21)10-15(12-16)17-19-6-9-23-17/h6,9-12H,4-5,7-8H2,1-3H3.
What are the key properties of 3-acetyl-5-(1,3-oxazol-2-yl)-N,N-dipropylbenzamide?
3-acetyl-5-(1,3-oxazol-2-yl)-N,N-dipropylbenzamide has a molecular weight of 314.39 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-(1,3-oxazol-2-yl)-N,N-dipropylbenzamide is sourced from PubChem (CID 21062892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).