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

C17H22N2O5 — CID 26700940

IUPAC3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2c(C)noc2C(C)C)cc(OC)c1OC
InChIInChI=1S/C17H22N2O5/c1-9(2)15-14(10(3)19-24-15)17(20)18-11-7-12(21-4)16(23-6)13(8-11)22-5/h7-9H,1-6H3,(H,18,20)
InChIKeyPBUOMZCFHTXTRS-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.38
Rot. Bonds6

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

3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 26700940) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
PubChem CID26700940
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2c(C)noc2C(C)C)cc(OC)c1OC
InChIInChI=1S/C17H22N2O5/c1-9(2)15-14(10(3)19-24-15)17(20)18-11-7-12(21-4)16(23-6)13(8-11)22-5/h7-9H,1-6H3,(H,18,20)
InChIKeyPBUOMZCFHTXTRS-UHFFFAOYSA-N
XLogP3.38
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)-1,2-oxazole-4-carbohydrazide
CID 9273624
4-nitro-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 20864778
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9270594
4-chloro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 17095611
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110623063
N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9068444
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30780069
N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9269043
3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 110622826
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245318
2-methyl-4-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 110676464
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 26700942

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide (CID 26700940) is 3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide is COc1cc(NC(=O)c2c(C)noc2C(C)C)cc(OC)c1OC.
What is the InChIKey of 3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is PBUOMZCFHTXTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-9(2)15-14(10(3)19-24-15)17(20)18-11-7-12(21-4)16(23-6)13(8-11)22-5/h7-9H,1-6H3,(H,18,20).
What are the key properties of 3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide?
3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 334.37 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-N-(3,4,5-trimethoxyphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 26700940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).