N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzamide

C19H25N3O4 — CID 119061316

IUPACN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCC(C)c1nc(-c2ccc(C(=O)NCC3(CO)CCOCC3)cc2)no1
InChIInChI=1S/C19H25N3O4/c1-13(2)18-21-16(22-26-18)14-3-5-15(6-4-14)17(24)20-11-19(12-23)7-9-25-10-8-19/h3-6,13,23H,7-12H2,1-2H3,(H,20,24)
InChIKeyOJMPJMTYYWUICH-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.38
Rot. Bonds6

About N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzamide

N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 119061316) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzamide
PubChem CID119061316
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCC(C)c1nc(-c2ccc(C(=O)NCC3(CO)CCOCC3)cc2)no1
InChIInChI=1S/C19H25N3O4/c1-13(2)18-21-16(22-26-18)14-3-5-15(6-4-14)17(24)20-11-19(12-23)7-9-25-10-8-19/h3-6,13,23H,7-12H2,1-2H3,(H,20,24)
InChIKeyOJMPJMTYYWUICH-UHFFFAOYSA-N
XLogP2.38
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzamide with MolForge

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Related Compounds

6-[[4-(hydroxymethyl)oxan-4-yl]methylcarbamoyl]naphthalene-2-carboxylic acid
CID 167752625
4-(4-hydroxy-3-methoxyphenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
CID 119069786
4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135912791
3-bromo-4-chloro-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
CID 110631720
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 110416759
4-(cyclopropylsulfamoyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
CID 70769591
4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 113313378
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 91954371
N-[1-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 20934008
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110310238
4-(1,1-dioxothiazinan-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
CID 110310247
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]acetamide
CID 110313875

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzamide (CID 119061316) is N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzamide is CC(C)c1nc(-c2ccc(C(=O)NCC3(CO)CCOCC3)cc2)no1.
What is the InChIKey of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is OJMPJMTYYWUICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13(2)18-21-16(22-26-18)14-3-5-15(6-4-14)17(24)20-11-19(12-23)7-9-25-10-8-19/h3-6,13,23H,7-12H2,1-2H3,(H,20,24).
What are the key properties of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzamide?
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 359.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 119061316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).