N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C17H22N2O4 — CID 9269043

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(C)noc2C(C)C)cc1OC
InChIInChI=1S/C17H22N2O4/c1-10(2)16-15(11(3)19-23-16)17(20)18-9-12-6-7-13(21-4)14(8-12)22-5/h6-8,10H,9H2,1-5H3,(H,18,20)
InChIKeyIHTSQLYIFXSUON-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.05
Rot. Bonds6

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

N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 9269043) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID9269043
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(C)noc2C(C)C)cc1OC
InChIInChI=1S/C17H22N2O4/c1-10(2)16-15(11(3)19-23-16)17(20)18-9-12-6-7-13(21-4)14(8-12)22-5/h6-8,10H,9H2,1-5H3,(H,18,20)
InChIKeyIHTSQLYIFXSUON-UHFFFAOYSA-N
XLogP3.05
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 9269043) is N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is COc1ccc(CNC(=O)c2c(C)noc2C(C)C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is IHTSQLYIFXSUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-10(2)16-15(11(3)19-23-16)17(20)18-9-12-6-7-13(21-4)14(8-12)22-5/h6-8,10H,9H2,1-5H3,(H,18,20).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 9269043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).