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

C14H16N2O5 — CID 17095591

IUPAC3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C)no2)cc(OC)c1OC
InChIInChI=1S/C14H16N2O5/c1-8-5-12(21-16-8)14(17)15-9-6-10(18-2)13(20-4)11(7-9)19-3/h5-7H,1-4H3,(H,15,17)
InChIKeyPWOANRXNUAQUKE-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.26
Rot. Bonds5

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

3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 17095591) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide
PubChem CID17095591
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C)no2)cc(OC)c1OC
InChIInChI=1S/C14H16N2O5/c1-8-5-12(21-16-8)14(17)15-9-6-10(18-2)13(20-4)11(7-9)19-3/h5-7H,1-4H3,(H,15,17)
InChIKeyPWOANRXNUAQUKE-UHFFFAOYSA-N
XLogP2.26
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-3-methylisoxazole-5-carboxamide
CID 7726776
4-chloro-3-methyl-N-(3,4,5-trimethoxyphenyl)isoxazole-5-carboxamide
CID 17095611
N-(3,4-dimethoxyphenyl)-5-isopropylisoxazole-3-carboxamide
CID 3237246
N-(2,4-Dimethoxyphenyl)-5-(propan-2-YL)-1,2-oxazole-3-carboxamide
CID 5308940
5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 1093729
5-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)isoxazole-3-carboxamide
CID 3241958
N-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
CID 4257437
4-chloro-N-(3,4-dimethoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 9550987
5-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)isoxazole-3-carboxamide
CID 17252848
3-(2-hydroxyphenyl)-N-(3,4,5-trimethoxyphenyl)-5-isoxazolecarboxamide
CID 135546945
1-(5-Methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethoxyphenyl)urea
CID 2307827
N-(3,4-dimethoxyphenyl)-3-methylisoxazole-5-carboxamide
CID 17095589

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide (CID 17095591) is 3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide is COc1cc(NC(=O)c2cc(C)no2)cc(OC)c1OC.
What is the InChIKey of 3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is PWOANRXNUAQUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-8-5-12(21-16-8)14(17)15-9-6-10(18-2)13(20-4)11(7-9)19-3/h5-7H,1-4H3,(H,15,17).
What are the key properties of 3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide?
3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 292.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17095591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).