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

C13H13ClN2O3 — CID 38881006

IUPAC5-chloro-2-hydroxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCc1cc(CN(C)C(=O)c2cc(Cl)ccc2O)no1
InChIInChI=1S/C13H13ClN2O3/c1-8-5-10(15-19-8)7-16(2)13(18)11-6-9(14)3-4-12(11)17/h3-6,17H,7H2,1-2H3
InChIKeyDOIONKXXWOPZAW-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.61
Rot. Bonds3

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

5-chloro-2-hydroxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (PubChem CID 38881006) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
PubChem CID38881006
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name5-chloro-2-hydroxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCc1cc(CN(C)C(=O)c2cc(Cl)ccc2O)no1
InChIInChI=1S/C13H13ClN2O3/c1-8-5-10(15-19-8)7-16(2)13(18)11-6-9(14)3-4-12(11)17/h3-6,17H,7H2,1-2H3
InChIKeyDOIONKXXWOPZAW-UHFFFAOYSA-N
XLogP2.61
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43565718
4-chloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 38303874
5-chloro-2-hydroxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 47379891
2-(4-chlorophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 110714502
3-amino-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 43587238
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588860
2-amino-4-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 55137012
5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide
CID 63700387
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 60753578
2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728420
2,3-dimethoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 38872569
4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride
CID 119729329

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (CID 38881006) is 5-chloro-2-hydroxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is Cc1cc(CN(C)C(=O)c2cc(Cl)ccc2O)no1.
What is the InChIKey of 5-chloro-2-hydroxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The InChIKey is DOIONKXXWOPZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-8-5-10(15-19-8)7-16(2)13(18)11-6-9(14)3-4-12(11)17/h3-6,17H,7H2,1-2H3.
What are the key properties of 5-chloro-2-hydroxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
5-chloro-2-hydroxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide has a molecular weight of 280.71 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is sourced from PubChem (CID 38881006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).