4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide

C17H13ClN2O3 — CID 9356011

IUPAC4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide
SMILESNC(=O)c1ccc(OCc2ncc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C17H13ClN2O3/c18-13-5-1-11(2-6-13)15-9-20-16(23-15)10-22-14-7-3-12(4-8-14)17(19)21/h1-9H,10H2,(H2,19,21)
InChIKeyJQWBMDQXMXHSQV-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.67
Rot. Bonds5

About 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide

4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide (PubChem CID 9356011) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide.

Molecular Properties

Compound Name4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide
PubChem CID9356011
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide
SMILESNC(=O)c1ccc(OCc2ncc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C17H13ClN2O3/c18-13-5-1-11(2-6-13)15-9-20-16(23-15)10-22-14-7-3-12(4-8-14)17(19)21/h1-9H,10H2,(H2,19,21)
InChIKeyJQWBMDQXMXHSQV-UHFFFAOYSA-N
XLogP3.67
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzaldehyde
CID 29420744
5-(4-chlorophenyl)-2-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole
CID 17398436
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (2R)-oxolane-2-carboxylate
CID 41480013
4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 26051370
N-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]acetamide
CID 9353806
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103614
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
methyl 2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-5-methylbenzoate
CID 112828219
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-(5-bromofuran-2-yl)prop-2-enoate
CID 30928179
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl (E)-3-thiophen-3-ylprop-2-enoate
CID 8568341
methyl N-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]carbamate
CID 78903690
2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole
CID 24961512

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide?
The IUPAC name of 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide (CID 9356011) is 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide.
What is the SMILES notation for 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide?
The canonical SMILES for 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide is NC(=O)c1ccc(OCc2ncc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide?
The InChIKey is JQWBMDQXMXHSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c18-13-5-1-11(2-6-13)15-9-20-16(23-15)10-22-14-7-3-12(4-8-14)17(19)21/h1-9H,10H2,(H2,19,21).
What are the key properties of 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide?
4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide has a molecular weight of 328.76 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide is sourced from PubChem (CID 9356011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).