N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide

C13H14N2O3 — CID 51153757

IUPACN-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(C)on2)c1
InChIInChI=1S/C13H14N2O3/c1-9-6-12(15-18-9)13(16)14-8-10-4-3-5-11(7-10)17-2/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyLVNVRTKFXMFPHL-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.92
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 51153757) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID51153757
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(C)on2)c1
InChIInChI=1S/C13H14N2O3/c1-9-6-12(15-18-9)13(16)14-8-10-4-3-5-11(7-10)17-2/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyLVNVRTKFXMFPHL-UHFFFAOYSA-N
XLogP1.92
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
N-[(3-carbamothioylphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 66156353
N-[(3-methoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 29217403
5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954224
3-(3-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 47399076
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47109455
5-(aminomethyl)-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 63724046
2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134795965
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
N'-[(3-methoxyphenyl)methyl]-N-methyloxamide
CID 2206408

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 51153757) is N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide is COc1cccc(CNC(=O)c2cc(C)on2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is LVNVRTKFXMFPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9-6-12(15-18-9)13(16)14-8-10-4-3-5-11(7-10)17-2/h3-7H,8H2,1-2H3,(H,14,16).
What are the key properties of N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51153757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).