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

C16H19N3O3 — CID 111540657

IUPACN-[(2-hydroxycyclopentyl)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(-c2ccc(C(=O)NCC3CCCC3O)cc2)o1
InChIInChI=1S/C16H19N3O3/c1-10-18-19-16(22-10)12-7-5-11(6-8-12)15(21)17-9-13-3-2-4-14(13)20/h5-8,13-14,20H,2-4,9H2,1H3,(H,17,21)
InChIKeyMPVSWJKUOLXTED-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.94
Rot. Bonds4

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

N-[(2-hydroxycyclopentyl)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 111540657) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID111540657
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1nnc(-c2ccc(C(=O)NCC3CCCC3O)cc2)o1
InChIInChI=1S/C16H19N3O3/c1-10-18-19-16(22-10)12-7-5-11(6-8-12)15(21)17-9-13-3-2-4-14(13)20/h5-8,13-14,20H,2-4,9H2,1H3,(H,17,21)
InChIKeyMPVSWJKUOLXTED-UHFFFAOYSA-N
XLogP1.94
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693154
N-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
CID 99606006
N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078798
N-[(2-hydroxycyclopentyl)methyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 111471045
N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide
CID 107031044
4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 13427946
N-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide
CID 114821777
N-(4-hydroxy-2-methylpentyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 111540039
N-[(2-hydroxycyclopentyl)methyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111471083
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 64929504
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 111912208
1-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 96569829

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide (CID 111540657) is N-[(2-hydroxycyclopentyl)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is Cc1nnc(-c2ccc(C(=O)NCC3CCCC3O)cc2)o1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is MPVSWJKUOLXTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-18-19-16(22-10)12-7-5-11(6-8-12)15(21)17-9-13-3-2-4-14(13)20/h5-8,13-14,20H,2-4,9H2,1H3,(H,17,21).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide?
N-[(2-hydroxycyclopentyl)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 301.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 111540657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).