3-chloro-4-ethoxy-5-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide

C14H15ClN2O4 — CID 39963862

IUPAC3-chloro-4-ethoxy-5-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2cc(C)on2)cc1OC
InChIInChI=1S/C14H15ClN2O4/c1-4-20-13-10(15)6-9(7-11(13)19-3)14(18)16-12-5-8(2)21-17-12/h5-7H,4H2,1-3H3,(H,16,17,18)
InChIKeySKKBSDYDNGTGBH-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.30
Rot. Bonds5

About 3-chloro-4-ethoxy-5-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide

3-chloro-4-ethoxy-5-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 39963862) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-5-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-5-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID39963862
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name3-chloro-4-ethoxy-5-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2cc(C)on2)cc1OC
InChIInChI=1S/C14H15ClN2O4/c1-4-20-13-10(15)6-9(7-11(13)19-3)14(18)16-12-5-8(2)21-17-12/h5-7H,4H2,1-3H3,(H,16,17,18)
InChIKeySKKBSDYDNGTGBH-UHFFFAOYSA-N
XLogP3.30
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-ethoxy-5-methoxy-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 46467277
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681045
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
CID 51149799
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-chloro-4,5-dimethoxybenzoate
CID 8952640
3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051733
3-chloro-4-ethoxy-N-(4-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 26239702
3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide
CID 25343284
N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide
CID 3392529
3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide
CID 3306078

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 39963862) is 3-chloro-4-ethoxy-5-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-5-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-5-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide is CCOc1c(Cl)cc(C(=O)Nc2cc(C)on2)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-5-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is SKKBSDYDNGTGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c1-4-20-13-10(15)6-9(7-11(13)19-3)14(18)16-12-5-8(2)21-17-12/h5-7H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 3-chloro-4-ethoxy-5-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
3-chloro-4-ethoxy-5-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 310.74 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-5-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 39963862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).