4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide

C21H21ClN2O3 — CID 51070492

IUPAC4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
SMILESCCCN(Cc1cc(-c2cccc(OC)c2)on1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O3/c1-3-11-24(21(25)15-7-9-17(22)10-8-15)14-18-13-20(27-23-18)16-5-4-6-19(12-16)26-2/h4-10,12-13H,3,11,14H2,1-2H3
InChIKeyUUJXOFQQONBOHJ-UHFFFAOYSA-N
MW384.86 g/mol
LogP5.06
Rot. Bonds7

About 4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide

4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide (PubChem CID 51070492) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
PubChem CID51070492
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
SMILESCCCN(Cc1cc(-c2cccc(OC)c2)on1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H21ClN2O3/c1-3-11-24(21(25)15-7-9-17(22)10-8-15)14-18-13-20(27-23-18)16-5-4-6-19(12-16)26-2/h4-10,12-13H,3,11,14H2,1-2H3
InChIKeyUUJXOFQQONBOHJ-UHFFFAOYSA-N
XLogP5.06
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.86
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070232
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 51070477
N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propylbenzamide
CID 51070319
1,1-diethyl-3-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]urea
CID 110314830
3-butyl-1-[(4-fluorophenyl)methyl]-1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea
CID 46111755
4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986
4-methoxy-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]benzamide
CID 110314795
1-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1-methyl-3-propan-2-ylurea
CID 42823019
4-chloro-N-[(4-fluorophenyl)methyl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 51070844
4-butoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866990
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide
CID 42656369
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclopentanecarboxamide
CID 46142194

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide?
The IUPAC name of 4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide (CID 51070492) is 4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide.
What is the SMILES notation for 4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide?
The canonical SMILES for 4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide is CCCN(Cc1cc(-c2cccc(OC)c2)on1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide?
The InChIKey is UUJXOFQQONBOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-3-11-24(21(25)15-7-9-17(22)10-8-15)14-18-13-20(27-23-18)16-5-4-6-19(12-16)26-2/h4-10,12-13H,3,11,14H2,1-2H3.
What are the key properties of 4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide?
4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide has a molecular weight of 384.86 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide is sourced from PubChem (CID 51070492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).