N-(4-hydroxy-2-methylpentyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

C16H21N3O3 — CID 111540039

IUPACN-(4-hydroxy-2-methylpentyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(-c2ccc(C(=O)NCC(C)CC(C)O)cc2)o1
InChIInChI=1S/C16H21N3O3/c1-10(8-11(2)20)9-17-15(21)13-4-6-14(7-5-13)16-19-18-12(3)22-16/h4-7,10-11,20H,8-9H2,1-3H3,(H,17,21)
InChIKeyRHFMNESDPZUIEK-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.18
Rot. Bonds6

About N-(4-hydroxy-2-methylpentyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide

N-(4-hydroxy-2-methylpentyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 111540039) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID111540039
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(4-hydroxy-2-methylpentyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(-c2ccc(C(=O)NCC(C)CC(C)O)cc2)o1
InChIInChI=1S/C16H21N3O3/c1-10(8-11(2)20)9-17-15(21)13-4-6-14(7-5-13)16-19-18-12(3)22-16/h4-7,10-11,20H,8-9H2,1-3H3,(H,17,21)
InChIKeyRHFMNESDPZUIEK-UHFFFAOYSA-N
XLogP2.18
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 97074910
N-[(2-hydroxycyclopentyl)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 111540657
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(quinolin-4-ylmethyl)benzamide
CID 71863321
N-cyclopropyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693154
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-propan-2-ylphenyl)benzamide
CID 110693245
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 167899796
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 111912208
N-(4-hydroxy-2-methylpentyl)furan-3-carboxamide
CID 111447081
4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide
CID 111447266
4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111447534
1-(4-hydroxy-2,2-dimethylpentyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 71981490
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111448110

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 111540039) is N-(4-hydroxy-2-methylpentyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is Cc1nnc(-c2ccc(C(=O)NCC(C)CC(C)O)cc2)o1.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is RHFMNESDPZUIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10(8-11(2)20)9-17-15(21)13-4-6-14(7-5-13)16-19-18-12(3)22-16/h4-7,10-11,20H,8-9H2,1-3H3,(H,17,21).
What are the key properties of N-(4-hydroxy-2-methylpentyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
N-(4-hydroxy-2-methylpentyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 303.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylpentyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 111540039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).