4-chloro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide

C14H15ClN2O5 — CID 17095611

IUPAC4-chloro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2onc(C)c2Cl)cc(OC)c1OC
InChIInChI=1S/C14H15ClN2O5/c1-7-11(15)13(22-17-7)14(18)16-8-5-9(19-2)12(21-4)10(6-8)20-3/h5-6H,1-4H3,(H,16,18)
InChIKeyRTJRNIJPLOVJLH-UHFFFAOYSA-N
MW326.74 g/mol
LogP2.91
Rot. Bonds5

About 4-chloro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide

4-chloro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 17095611) has the molecular formula C14H15ClN2O5 and a molecular weight of 326.74 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide
PubChem CID17095611
Molecular FormulaC14H15ClN2O5
Molecular Weight326.74 g/mol
Exact Mass326.07
IUPAC Name4-chloro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2onc(C)c2Cl)cc(OC)c1OC
InChIInChI=1S/C14H15ClN2O5/c1-7-11(15)13(22-17-7)14(18)16-8-5-9(19-2)12(21-4)10(6-8)20-3/h5-6H,1-4H3,(H,16,18)
InChIKeyRTJRNIJPLOVJLH-UHFFFAOYSA-N
XLogP2.91
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
CID 26700940
3,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102136
N'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956802
2-tert-butyl-4-methyl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 48980632
2-bromo-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 117087526
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 17435427
4-nitro-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 20864778
5-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 17396165
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
2-methyl-4-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 110676464
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245318

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-chloro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide (CID 17095611) is 4-chloro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-chloro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-chloro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide is COc1cc(NC(=O)c2onc(C)c2Cl)cc(OC)c1OC.
What is the InChIKey of 4-chloro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is RTJRNIJPLOVJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O5/c1-7-11(15)13(22-17-7)14(18)16-8-5-9(19-2)12(21-4)10(6-8)20-3/h5-6H,1-4H3,(H,16,18).
What are the key properties of 4-chloro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide?
4-chloro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 326.74 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17095611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).