2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide

C24H26FN3O2 — CID 42834726

IUPAC2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccccc1CN(Cc1nc(C(=O)NCc2ccc(F)cc2)co1)CC1CC1
InChIInChI=1S/C24H26FN3O2/c1-17-4-2-3-5-20(17)14-28(13-19-6-7-19)15-23-27-22(16-30-23)24(29)26-12-18-8-10-21(25)11-9-18/h2-5,8-11,16,19H,6-7,12-15H2,1H3,(H,26,29)
InChIKeyTTYBUIYVTYFJQZ-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.46
Rot. Bonds9

About 2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide

2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 42834726) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID42834726
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccccc1CN(Cc1nc(C(=O)NCc2ccc(F)cc2)co1)CC1CC1
InChIInChI=1S/C24H26FN3O2/c1-17-4-2-3-5-20(17)14-28(13-19-6-7-19)15-23-27-22(16-30-23)24(29)26-12-18-8-10-21(25)11-9-18/h2-5,8-11,16,19H,6-7,12-15H2,1H3,(H,26,29)
InChIKeyTTYBUIYVTYFJQZ-UHFFFAOYSA-N
XLogP4.46
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834723
N-benzyl-2-[[(2,4-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 46000381
N-(1,3-benzodioxol-5-ylmethyl)-2-[[cyclopropylmethyl-[(2,5-dimethylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 42834702
2-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42834853
N-benzyl-2-[[(2-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
CID 42835074
2-[[1,3-benzodioxol-5-ylmethyl-[(4-methylphenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 42832158
N-benzyl-2-[[benzyl-[(2,4-dimethylphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 46002413
N-[(4-fluorophenyl)methyl]-2-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 46000428
N-[(4-fluorophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
CID 3813359
2-[[(4-tert-butylphenyl)methyl-cyclopropylamino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 42834555
N-[(4-fluorophenyl)methyl]-2-[[2-(1H-indol-3-yl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 42833750
2-[[benzyl-[(2,4-difluorophenyl)methyl]amino]methyl]-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
CID 46149195

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide (CID 42834726) is 2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide is Cc1ccccc1CN(Cc1nc(C(=O)NCc2ccc(F)cc2)co1)CC1CC1.
What is the InChIKey of 2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is TTYBUIYVTYFJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-17-4-2-3-5-20(17)14-28(13-19-6-7-19)15-23-27-22(16-30-23)24(29)26-12-18-8-10-21(25)11-9-18/h2-5,8-11,16,19H,6-7,12-15H2,1H3,(H,26,29).
What are the key properties of 2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 407.49 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl-[(2-methylphenyl)methyl]amino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42834726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).