2,6-dimethoxy-N-[3-[(3R)-3-methylpentyl]-1,2-oxazol-5-yl]benzamide

C18H24N2O4 — CID 134522536

IUPAC2,6-dimethoxy-N-[3-[(3R)-3-methylpentyl]-1,2-oxazol-5-yl]benzamide
SMILESCC[C@@H](C)CCc1cc(NC(=O)c2c(OC)cccc2OC)on1
InChIInChI=1S/C18H24N2O4/c1-5-12(2)9-10-13-11-16(24-20-13)19-18(21)17-14(22-3)7-6-8-15(17)23-4/h6-8,11-12H,5,9-10H2,1-4H3,(H,19,21)/t12-/m1/s1
InChIKeyLFVDNVYXXWWADM-GFCCVEGCSA-N
MW332.40 g/mol
LogP3.92
Rot. Bonds8

About 2,6-dimethoxy-N-[3-[(3R)-3-methylpentyl]-1,2-oxazol-5-yl]benzamide

2,6-dimethoxy-N-[3-[(3R)-3-methylpentyl]-1,2-oxazol-5-yl]benzamide (PubChem CID 134522536) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[3-[(3R)-3-methylpentyl]-1,2-oxazol-5-yl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[3-[(3R)-3-methylpentyl]-1,2-oxazol-5-yl]benzamide
PubChem CID134522536
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2,6-dimethoxy-N-[3-[(3R)-3-methylpentyl]-1,2-oxazol-5-yl]benzamide
SMILESCC[C@@H](C)CCc1cc(NC(=O)c2c(OC)cccc2OC)on1
InChIInChI=1S/C18H24N2O4/c1-5-12(2)9-10-13-11-16(24-20-13)19-18(21)17-14(22-3)7-6-8-15(17)23-4/h6-8,11-12H,5,9-10H2,1-4H3,(H,19,21)/t12-/m1/s1
InChIKeyLFVDNVYXXWWADM-GFCCVEGCSA-N
XLogP3.92
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1-hydroxyethyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
CID 169451299
2,6-dimethyl-N-(3-propyl-1,2-oxazol-5-yl)benzamide
CID 13229305
2,6-dimethoxy-N-[3-[3-(methoxymethyl)pentan-3-yl]-1,2-oxazol-5-yl]benzamide
CID 13234299
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
CID 112503065
N-[3-(3-ethyloctan-3-yl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
CID 19911930
N-[3-(7-chloro-3-ethylheptan-3-yl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
CID 19911973
2,6-dimethoxy-N-[5-(3-methylpentan-3-yl)-1,2-oxazol-3-yl]benzamide
CID 13239379
2-bromo-6-methoxy-N-[3-(3-methylhexan-3-yl)-1,2-oxazol-5-yl]benzamide
CID 19911877
N-[5-(3-ethyloctan-3-yl)-1,2-oxazol-3-yl]-2,6-dimethoxybenzamide
CID 19912004
N-(2-ethylsulfanylphenyl)-2,6-dimethoxybenzamide
CID 92646111
1-methoxy-2-[(3R)-3-methylpentyl]benzene
CID 142086575
N-butan-2-yl-2,6-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4088042

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[3-[(3R)-3-methylpentyl]-1,2-oxazol-5-yl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[3-[(3R)-3-methylpentyl]-1,2-oxazol-5-yl]benzamide (CID 134522536) is 2,6-dimethoxy-N-[3-[(3R)-3-methylpentyl]-1,2-oxazol-5-yl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[3-[(3R)-3-methylpentyl]-1,2-oxazol-5-yl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[3-[(3R)-3-methylpentyl]-1,2-oxazol-5-yl]benzamide is CC[C@@H](C)CCc1cc(NC(=O)c2c(OC)cccc2OC)on1.
What is the InChIKey of 2,6-dimethoxy-N-[3-[(3R)-3-methylpentyl]-1,2-oxazol-5-yl]benzamide?
The InChIKey is LFVDNVYXXWWADM-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-5-12(2)9-10-13-11-16(24-20-13)19-18(21)17-14(22-3)7-6-8-15(17)23-4/h6-8,11-12H,5,9-10H2,1-4H3,(H,19,21)/t12-/m1/s1.
What are the key properties of 2,6-dimethoxy-N-[3-[(3R)-3-methylpentyl]-1,2-oxazol-5-yl]benzamide?
2,6-dimethoxy-N-[3-[(3R)-3-methylpentyl]-1,2-oxazol-5-yl]benzamide has a molecular weight of 332.40 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[3-[(3R)-3-methylpentyl]-1,2-oxazol-5-yl]benzamide is sourced from PubChem (CID 134522536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).