N-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C15H18N2O3 — CID 46470743

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOCc1cccc(CNC(=O)c2c(C)noc2C)c1
InChIInChI=1S/C15H18N2O3/c1-10-14(11(2)20-17-10)15(18)16-8-12-5-4-6-13(7-12)9-19-3/h4-7H,8-9H2,1-3H3,(H,16,18)
InChIKeyRRMAUSROZJHUFE-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.37
Rot. Bonds5

About N-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 46470743) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID46470743
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOCc1cccc(CNC(=O)c2c(C)noc2C)c1
InChIInChI=1S/C15H18N2O3/c1-10-14(11(2)20-17-10)15(18)16-8-12-5-4-6-13(7-12)9-19-3/h4-7H,8-9H2,1-3H3,(H,16,18)
InChIKeyRRMAUSROZJHUFE-UHFFFAOYSA-N
XLogP2.37
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 107231954
N-[(3-methoxyphenyl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 29217403
N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715469
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715476
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752430
3-methyl-5-(2-methylphenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 46096895
3-methyl-5-propan-2-yl-N-[(3-sulfamoylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 32564082
3-methyl-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 167932442
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 91778429
2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid
CID 81312082
3,5-dimethyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 75459913
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 107904710

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 46470743) is N-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is COCc1cccc(CNC(=O)c2c(C)noc2C)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is RRMAUSROZJHUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-14(11(2)20-17-10)15(18)16-8-12-5-4-6-13(7-12)9-19-3/h4-7H,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46470743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).