N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide

C16H20N2O4 — CID 87043362

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NCc2nc(C)c(C)o2)ccc1OC
InChIInChI=1S/C16H20N2O4/c1-5-21-14-8-12(6-7-13(14)20-4)16(19)17-9-15-18-10(2)11(3)22-15/h6-8H,5,9H2,1-4H3,(H,17,19)
InChIKeyJKRPYLMVQAFPOD-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.63
Rot. Bonds6

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide (PubChem CID 87043362) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide
PubChem CID87043362
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NCc2nc(C)c(C)o2)ccc1OC
InChIInChI=1S/C16H20N2O4/c1-5-21-14-8-12(6-7-13(14)20-4)16(19)17-9-15-18-10(2)11(3)22-15/h6-8H,5,9H2,1-4H3,(H,17,19)
InChIKeyJKRPYLMVQAFPOD-UHFFFAOYSA-N
XLogP2.63
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 87043417
3-cyclopentyloxy-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzamide
CID 75503642
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 87043392
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylguanidine
CID 109428925
5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide
CID 106368719
3-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 47344966
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoro-4-methylbenzamide
CID 47345055
N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 46590873
3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 39045573
methyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxybenzoate
CID 99824042
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide (CID 87043362) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)NCc2nc(C)c(C)o2)ccc1OC.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide?
The InChIKey is JKRPYLMVQAFPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-5-21-14-8-12(6-7-13(14)20-4)16(19)17-9-15-18-10(2)11(3)22-15/h6-8H,5,9H2,1-4H3,(H,17,19).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide has a molecular weight of 304.35 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 87043362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).