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

C18H23N3O2 — CID 21361566

IUPACN-[(2,2-dimethylcyclopentyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCC1=NOC(=N1)C2=CC=C(C=C2)C(=O)NCC3CCCC3(C)C
InChIInChI=1S/C18H23N3O2/c1-12-20-17(23-21-12)14-8-6-13(7-9-14)16(22)19-11-15-5-4-10-18(15,2)3/h6-9,15H,4-5,10-11H2,1-3H3,(H,19,22)
InChIKeyAXZYARBAJJGZIL-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.10
Rot. Bonds4

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

N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 21361566) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopentyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID21361566
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[(2,2-dimethylcyclopentyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCC1=NOC(=N1)C2=CC=C(C=C2)C(=O)NCC3CCCC3(C)C
InChIInChI=1S/C18H23N3O2/c1-12-20-17(23-21-12)14-8-6-13(7-9-14)16(22)19-11-15-5-4-10-18(15,2)3/h6-9,15H,4-5,10-11H2,1-3H3,(H,19,22)
InChIKeyAXZYARBAJJGZIL-UHFFFAOYSA-N
XLogP4.10
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity418

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-5-phenyl-1,2,4-oxadiazole
CID 136937
cis-3-{[(1R)-1-{4-[5-(4-Isobutylphenyl)-1,2,4-oxadiazol-3-yl]phenyl}ethyl]amino}cyclobutanecarboxylic acid
CID 42610387
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]amino}pentanamide
CID 23648306
5-(4-Methylphenyl)-3-phenyl-1,2,4-oxadiazole
CID 577305
2-[(2S,5R)-5-[4-[5-(4-cyclohexylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-yl]acetic acid
CID 44412416
N-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 3737087
4-(3-Butyl-[1,2,4]oxadiazol-5-yl)-N-(3,3-dimethyl-butyl)-benzamide
CID 9797557
N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 10386016
N-(3,3-Dimethyl-butyl)-4-(3-phenyl-[1,2,4]oxadiazol-5-yl)-benzamide
CID 11078601
4-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(2,2-dimethylcyclopentyl)methyl]benzamide
CID 21361503
N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)benzamide
CID 21361571
N-hydroxy-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 135358206

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 21361566) is N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is CC1=NOC(=N1)C2=CC=C(C=C2)C(=O)NCC3CCCC3(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is AXZYARBAJJGZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-20-17(23-21-12)14-8-6-13(7-9-14)16(22)19-11-15-5-4-10-18(15,2)3/h6-9,15H,4-5,10-11H2,1-3H3,(H,19,22).
What are the key properties of N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 313.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 21361566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).