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

C21H18FN5O2 — CID 134047981

IUPACN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(-c2ccc(C(=O)NC(c3ccc(F)cc3)c3nccn3C)cc2)n1
InChIInChI=1S/C21H18FN5O2/c1-13-24-21(29-26-13)16-5-3-15(4-6-16)20(28)25-18(19-23-11-12-27(19)2)14-7-9-17(22)10-8-14/h3-12,18H,1-2H3,(H,25,28)
InChIKeySWQKSKVDQILZSZ-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.44
Rot. Bonds5

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

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 134047981) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID134047981
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(-c2ccc(C(=O)NC(c3ccc(F)cc3)c3nccn3C)cc2)n1
InChIInChI=1S/C21H18FN5O2/c1-13-24-21(29-26-13)16-5-3-15(4-6-16)20(28)25-18(19-23-11-12-27(19)2)14-7-9-17(22)10-8-14/h3-12,18H,1-2H3,(H,25,28)
InChIKeySWQKSKVDQILZSZ-UHFFFAOYSA-N
XLogP3.44
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide
CID 46685190
4-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzene-1,4-dicarboxamide
CID 51272974
4-(2,5-dimethylpyrrol-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51532954
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 25367440
N-[2-[[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 25358357
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 47026269
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26078376
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46512997
N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 110429323
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 46631561
4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide
CID 110429568
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 134047981) is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is Cc1noc(-c2ccc(C(=O)NC(c3ccc(F)cc3)c3nccn3C)cc2)n1.
What is the InChIKey of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is SWQKSKVDQILZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-13-24-21(29-26-13)16-5-3-15(4-6-16)20(28)25-18(19-23-11-12-27(19)2)14-7-9-17(22)10-8-14/h3-12,18H,1-2H3,(H,25,28).
What are the key properties of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 391.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 134047981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).