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

C17H22N2O4 — CID 20885287

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(CC(C)C)on2)cc1OC
InChIInChI=1S/C17H22N2O4/c1-11(2)7-13-9-14(19-23-13)17(20)18-10-12-5-6-15(21-3)16(8-12)22-4/h5-6,8-9,11H,7,10H2,1-4H3,(H,18,20)
InChIKeyUJIJZZQKRACKJG-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.82
Rot. Bonds7

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

N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 20885287) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID20885287
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(CC(C)C)on2)cc1OC
InChIInChI=1S/C17H22N2O4/c1-11(2)7-13-9-14(19-23-13)17(20)18-10-12-5-6-15(21-3)16(8-12)22-4/h5-6,8-9,11H,7,10H2,1-4H3,(H,18,20)
InChIKeyUJIJZZQKRACKJG-UHFFFAOYSA-N
XLogP2.82
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261874
N-(5-chloro-2-methoxyphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 17253345
N-(1,3-benzodioxol-5-ylmethyl)-5-[[(3,4-dimethoxybenzoyl)-(2-methylpropyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23876360
N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9269043
N-(furan-2-ylmethyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 5308926
5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 42527110
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3238946
N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109123460
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62234893
2-(1-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3757058
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682584
N-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109285912

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 20885287) is N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is COc1ccc(CNC(=O)c2cc(CC(C)C)on2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is UJIJZZQKRACKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11(2)7-13-9-14(19-23-13)17(20)18-10-12-5-6-15(21-3)16(8-12)22-4/h5-6,8-9,11H,7,10H2,1-4H3,(H,18,20).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 2.82, 7 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]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 20885287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).