3-chloro-4-hydroxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide

C13H13ClN2O3 — CID 103950224

IUPAC3-chloro-4-hydroxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
SMILESCc1cnc(C(C)NC(=O)c2ccc(O)c(Cl)c2)o1
InChIInChI=1S/C13H13ClN2O3/c1-7-6-15-13(19-7)8(2)16-12(18)9-3-4-11(17)10(14)5-9/h3-6,8,17H,1-2H3,(H,16,18)
InChIKeyFKHUBRMKQSRHGW-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.83
Rot. Bonds3

About 3-chloro-4-hydroxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide

3-chloro-4-hydroxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide (PubChem CID 103950224) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
PubChem CID103950224
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name3-chloro-4-hydroxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
SMILESCc1cnc(C(C)NC(=O)c2ccc(O)c(Cl)c2)o1
InChIInChI=1S/C13H13ClN2O3/c1-7-6-15-13(19-7)8(2)16-12(18)9-3-4-11(17)10(14)5-9/h3-6,8,17H,1-2H3,(H,16,18)
InChIKeyFKHUBRMKQSRHGW-UHFFFAOYSA-N
XLogP2.83
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103958365
3-hydroxy-4-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 104630729
2-hydroxy-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103949071
2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 106389742
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-sulfanylbenzamide
CID 106390062
2-chloro-6-(methylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 103948959
5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106389573
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106389570
3-chloro-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzoic acid
CID 114182553
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-indole-5-carboxamide
CID 103948958
4-chloro-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 103949111
5-chloro-2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103949119

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide (CID 103950224) is 3-chloro-4-hydroxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide is Cc1cnc(C(C)NC(=O)c2ccc(O)c(Cl)c2)o1.
What is the InChIKey of 3-chloro-4-hydroxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
The InChIKey is FKHUBRMKQSRHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-7-6-15-13(19-7)8(2)16-12(18)9-3-4-11(17)10(14)5-9/h3-6,8,17H,1-2H3,(H,16,18).
What are the key properties of 3-chloro-4-hydroxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
3-chloro-4-hydroxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide has a molecular weight of 280.71 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 103950224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).