N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide

C26H27FN4O3 — CID 71289108

IUPACN-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(-c2cccc(C(=O)NCC(CCN(C)C)c3coc(-c4ccc(F)cc4)n3)c2)no1
InChIInChI=1S/C26H27FN4O3/c1-17-13-23(30-34-17)19-5-4-6-20(14-19)25(32)28-15-21(11-12-31(2)3)24-16-33-26(29-24)18-7-9-22(27)10-8-18/h4-10,13-14,16,21H,11-12,15H2,1-3H3,(H,28,32)
InChIKeyJAQZLAXQEZRCTE-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.91
Rot. Bonds9

About N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide

N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 71289108) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID71289108
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC NameN-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(-c2cccc(C(=O)NCC(CCN(C)C)c3coc(-c4ccc(F)cc4)n3)c2)no1
InChIInChI=1S/C26H27FN4O3/c1-17-13-23(30-34-17)19-5-4-6-20(14-19)25(32)28-15-21(11-12-31(2)3)24-16-33-26(29-24)18-7-9-22(27)10-8-18/h4-10,13-14,16,21H,11-12,15H2,1-3H3,(H,28,32)
InChIKeyJAQZLAXQEZRCTE-UHFFFAOYSA-N
XLogP4.91
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 71289108) is N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide is Cc1cc(-c2cccc(C(=O)NCC(CCN(C)C)c3coc(-c4ccc(F)cc4)n3)c2)no1.
What is the InChIKey of N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is JAQZLAXQEZRCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3/c1-17-13-23(30-34-17)19-5-4-6-20(14-19)25(32)28-15-21(11-12-31(2)3)24-16-33-26(29-24)18-7-9-22(27)10-8-18/h4-10,13-14,16,21H,11-12,15H2,1-3H3,(H,28,32).
What are the key properties of N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide?
N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 462.53 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]butyl]-3-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 71289108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).