5-[[cyclopropanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide

C22H23N3O3S — CID 23736208

IUPAC5-[[cyclopropanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(CN(Cc3cccs3)C(=O)C3CC3)on2)cc1
InChIInChI=1S/C22H23N3O3S/c1-15-4-6-16(7-5-15)12-23-21(26)20-11-18(28-24-20)13-25(22(27)17-8-9-17)14-19-3-2-10-29-19/h2-7,10-11,17H,8-9,12-14H2,1H3,(H,23,26)
InChIKeyNLSHWIDZRQEXFY-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.91
Rot. Bonds8

About 5-[[cyclopropanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide

5-[[cyclopropanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 23736208) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 5-[[cyclopropanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[cyclopropanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID23736208
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name5-[[cyclopropanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(CN(Cc3cccs3)C(=O)C3CC3)on2)cc1
InChIInChI=1S/C22H23N3O3S/c1-15-4-6-16(7-5-15)12-23-21(26)20-11-18(28-24-20)13-25(22(27)17-8-9-17)14-19-3-2-10-29-19/h2-7,10-11,17H,8-9,12-14H2,1H3,(H,23,26)
InChIKeyNLSHWIDZRQEXFY-UHFFFAOYSA-N
XLogP3.91
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23741982
N-(cyclopropylmethyl)-5-[[thiophene-2-carbonyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23822532
N-(cyclopropylmethyl)-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23852883
5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23906085
5-[[cyclopropanecarbonyl(cyclopropyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23799293
5-[[benzyl(cyclohexanecarbonyl)amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23934866
5-[[cyclopropanecarbonyl(1-hydroxypropan-2-yl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23996073
N-[(3-chlorophenyl)methyl]-5-[[cyclopropanecarbonyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23736232
5-[[cyclopropanecarbonyl(prop-2-enyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23733314
N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119271762
5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63571789
5-[[cyclopentanecarbonyl(2-phenylethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23734689

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[cyclopropanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide (CID 23736208) is 5-[[cyclopropanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[cyclopropanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[cyclopropanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide is Cc1ccc(CNC(=O)c2cc(CN(Cc3cccs3)C(=O)C3CC3)on2)cc1.
What is the InChIKey of 5-[[cyclopropanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is NLSHWIDZRQEXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-15-4-6-16(7-5-15)12-23-21(26)20-11-18(28-24-20)13-25(22(27)17-8-9-17)14-19-3-2-10-29-19/h2-7,10-11,17H,8-9,12-14H2,1H3,(H,23,26).
What are the key properties of 5-[[cyclopropanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide?
5-[[cyclopropanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23736208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).