N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzamide

C18H16FN3O2 — CID 95627865

IUPACN-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzamide
SMILESCc1nc([C@H](NC(=O)c2ccccc2C)c2ccccc2F)no1
InChIInChI=1S/C18H16FN3O2/c1-11-7-3-4-8-13(11)18(23)21-16(17-20-12(2)24-22-17)14-9-5-6-10-15(14)19/h3-10,16H,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyJCOBEELADIDHII-MRXNPFEDSA-N
MW325.34 g/mol
LogP3.34
Rot. Bonds4

About N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzamide

N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzamide (PubChem CID 95627865) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzamide
PubChem CID95627865
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzamide
SMILESCc1nc([C@H](NC(=O)c2ccccc2C)c2ccccc2F)no1
InChIInChI=1S/C18H16FN3O2/c1-11-7-3-4-8-13(11)18(23)21-16(17-20-12(2)24-22-17)14-9-5-6-10-15(14)19/h3-10,16H,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyJCOBEELADIDHII-MRXNPFEDSA-N
XLogP3.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 102557272
N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 96549223
1-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methylprop-2-enyl)urea
CID 99578684
1-(2,2-difluoro-1-phenylethyl)-3-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 167936648
1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1,3-thiazol-2-yl)urea
CID 71972980
1-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3-methyl-1,2-thiazol-5-yl)urea
CID 71972754
trans-(1S,3S)-3-amino-N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 125153878
(2S)-N-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 124696131
(3S)-N-[(S)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-3-carboxamide
CID 124595201
N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-7-carboxamide
CID 96563433
3-fluoro-N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 95380015
N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-carboxamide
CID 95380003

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzamide?
The IUPAC name of N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzamide (CID 95627865) is N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzamide?
The canonical SMILES for N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzamide is Cc1nc([C@H](NC(=O)c2ccccc2C)c2ccccc2F)no1.
What is the InChIKey of N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzamide?
The InChIKey is JCOBEELADIDHII-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-11-7-3-4-8-13(11)18(23)21-16(17-20-12(2)24-22-17)14-9-5-6-10-15(14)19/h3-10,16H,1-2H3,(H,21,23)/t16-/m1/s1.
What are the key properties of N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzamide?
N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzamide has a molecular weight of 325.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 95627865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).