N-cyclopropyl-N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-fluorobenzamide

C22H21FN2O2 — CID 51070044

IUPACN-cyclopropyl-N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-fluorobenzamide
SMILESCc1ccc(-c2cc(CN(C(=O)c3ccc(F)cc3)C3CC3)no2)cc1C
InChIInChI=1S/C22H21FN2O2/c1-14-3-4-17(11-15(14)2)21-12-19(24-27-21)13-25(20-9-10-20)22(26)16-5-7-18(23)8-6-16/h3-8,11-12,20H,9-10,13H2,1-2H3
InChIKeyYDSHKTBKPPSZTA-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.90
Rot. Bonds5

About N-cyclopropyl-N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-fluorobenzamide

N-cyclopropyl-N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-fluorobenzamide (PubChem CID 51070044) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-fluorobenzamide
PubChem CID51070044
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC NameN-cyclopropyl-N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-fluorobenzamide
SMILESCc1ccc(-c2cc(CN(C(=O)c3ccc(F)cc3)C3CC3)no2)cc1C
InChIInChI=1S/C22H21FN2O2/c1-14-3-4-17(11-15(14)2)21-12-19(24-27-21)13-25(20-9-10-20)22(26)16-5-7-18(23)8-6-16/h3-8,11-12,20H,9-10,13H2,1-2H3
InChIKeyYDSHKTBKPPSZTA-UHFFFAOYSA-N
XLogP4.90
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
Morpholin-4-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093793
(3~{s})-5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-2-Methyl-3-Phenyl-3~{h}-Isoindol-1-One
CID 78428091
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
N-cyclohexyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093785
Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093787
(5-Phenyl-1,2-oxazol-3-yl)(4-phenylpiperazin-1-yl)methanone
CID 1250455
N-cyclohexyl-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 3158158
N-cyclohexyl-5-(4-fluorophenyl)-3-isoxazolecarboxamide
CID 15992620
2-[(5-Phenyl-3-isoxazolyl)carbonyl]-1,2,3,4-tetrahydroisoquinoline
CID 973876
N-cyclohexyl-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093791
N-butyl-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3236125

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-fluorobenzamide?
The IUPAC name of N-cyclopropyl-N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-fluorobenzamide (CID 51070044) is N-cyclopropyl-N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-cyclopropyl-N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-cyclopropyl-N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-fluorobenzamide is Cc1ccc(-c2cc(CN(C(=O)c3ccc(F)cc3)C3CC3)no2)cc1C.
What is the InChIKey of N-cyclopropyl-N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-fluorobenzamide?
The InChIKey is YDSHKTBKPPSZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-14-3-4-17(11-15(14)2)21-12-19(24-27-21)13-25(20-9-10-20)22(26)16-5-7-18(23)8-6-16/h3-8,11-12,20H,9-10,13H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-fluorobenzamide?
N-cyclopropyl-N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-fluorobenzamide has a molecular weight of 364.42 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 51070044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).