2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-hydroxycyclobutyl)methyl]benzamide

C18H22N2O4 — CID 111445543

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-hydroxycyclobutyl)methyl]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)NCC1(O)CCC1
InChIInChI=1S/C18H22N2O4/c1-12-15(13(2)24-20-12)10-23-16-7-4-3-6-14(16)17(21)19-11-18(22)8-5-9-18/h3-4,6-7,22H,5,8-11H2,1-2H3,(H,19,21)
InChIKeyUPRYOCFJLOZUDC-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.52
Rot. Bonds6

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-hydroxycyclobutyl)methyl]benzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-hydroxycyclobutyl)methyl]benzamide (PubChem CID 111445543) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-hydroxycyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-hydroxycyclobutyl)methyl]benzamide
PubChem CID111445543
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-hydroxycyclobutyl)methyl]benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)NCC1(O)CCC1
InChIInChI=1S/C18H22N2O4/c1-12-15(13(2)24-20-12)10-23-16-7-4-3-6-14(16)17(21)19-11-18(22)8-5-9-18/h3-4,6-7,22H,5,8-11H2,1-2H3,(H,19,21)
InChIKeyUPRYOCFJLOZUDC-UHFFFAOYSA-N
XLogP2.52
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(3-bromophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-hydroxycyclobutyl)methyl]benzamide (CID 111445543) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-hydroxycyclobutyl)methyl]benzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-hydroxycyclobutyl)methyl]benzamide is Cc1noc(C)c1COc1ccccc1C(=O)NCC1(O)CCC1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The InChIKey is UPRYOCFJLOZUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12-15(13(2)24-20-12)10-23-16-7-4-3-6-14(16)17(21)19-11-18(22)8-5-9-18/h3-4,6-7,22H,5,8-11H2,1-2H3,(H,19,21).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-hydroxycyclobutyl)methyl]benzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-hydroxycyclobutyl)methyl]benzamide has a molecular weight of 330.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-hydroxycyclobutyl)methyl]benzamide is sourced from PubChem (CID 111445543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).