N-[3-(1-hydroxyethyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide

C14H16N2O5 — CID 169451299

IUPACN-[3-(1-hydroxyethyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cc(C(C)O)no1
InChIInChI=1S/C14H16N2O5/c1-8(17)9-7-12(21-16-9)15-14(18)13-10(19-2)5-4-6-11(13)20-3/h4-8,17H,1-3H3,(H,15,18)
InChIKeyPRQLMPOGGRAGCK-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.00
Rot. Bonds5

About N-[3-(1-hydroxyethyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide

N-[3-(1-hydroxyethyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide (PubChem CID 169451299) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is N-[3-(1-hydroxyethyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(1-hydroxyethyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
PubChem CID169451299
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC NameN-[3-(1-hydroxyethyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cc(C(C)O)no1
InChIInChI=1S/C14H16N2O5/c1-8(17)9-7-12(21-16-9)15-14(18)13-10(19-2)5-4-6-11(13)20-3/h4-8,17H,1-3H3,(H,15,18)
InChIKeyPRQLMPOGGRAGCK-UHFFFAOYSA-N
XLogP2.00
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethoxy-N-[3-[(3R)-3-methylpentyl]-1,2-oxazol-5-yl]benzamide
CID 134522536
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
CID 112503065
2,6-dimethoxy-N-[3-[3-(methoxymethyl)pentan-3-yl]-1,2-oxazol-5-yl]benzamide
CID 13234299
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
3-bromo-4-methoxy-N-(3-propan-2-yl-1,2-oxazol-5-yl)benzamide
CID 61025574
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 64555667
2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 3076186
2-bromo-6-methoxy-N-[3-(3-methylhexan-3-yl)-1,2-oxazol-5-yl]benzamide
CID 19911877
2,6-dimethoxy-N-[5-(3-methylpentan-3-yl)-1,2-oxazol-3-yl]benzamide
CID 13239379
N-(2-hydroxypropyl)-2,6-dimethoxybenzamide
CID 43501194
2,6-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1181025

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxyethyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[3-(1-hydroxyethyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide (CID 169451299) is N-[3-(1-hydroxyethyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[3-(1-hydroxyethyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[3-(1-hydroxyethyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1cc(C(C)O)no1.
What is the InChIKey of N-[3-(1-hydroxyethyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide?
The InChIKey is PRQLMPOGGRAGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-8(17)9-7-12(21-16-9)15-14(18)13-10(19-2)5-4-6-11(13)20-3/h4-8,17H,1-3H3,(H,15,18).
What are the key properties of N-[3-(1-hydroxyethyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide?
N-[3-(1-hydroxyethyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide has a molecular weight of 292.29 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxyethyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 169451299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).