N-(cyclopropylmethyl)-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide

C23H25N3O3S — CID 23852883

IUPACN-(cyclopropylmethyl)-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CC1)c1cc(CN(Cc2cccs2)C(=O)CCc2ccccc2)on1
InChIInChI=1S/C23H25N3O3S/c27-22(11-10-17-5-2-1-3-6-17)26(16-20-7-4-12-30-20)15-19-13-21(25-29-19)23(28)24-14-18-8-9-18/h1-7,12-13,18H,8-11,14-16H2,(H,24,28)
InChIKeyXIYHFVPPPWRSQM-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.04
Rot. Bonds10

About N-(cyclopropylmethyl)-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide

N-(cyclopropylmethyl)-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 23852883) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide
PubChem CID23852883
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-(cyclopropylmethyl)-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CC1)c1cc(CN(Cc2cccs2)C(=O)CCc2ccccc2)on1
InChIInChI=1S/C23H25N3O3S/c27-22(11-10-17-5-2-1-3-6-17)26(16-20-7-4-12-30-20)15-19-13-21(25-29-19)23(28)24-14-18-8-9-18/h1-7,12-13,18H,8-11,14-16H2,(H,24,28)
InChIKeyXIYHFVPPPWRSQM-UHFFFAOYSA-N
XLogP4.04
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-5-[[thiophene-2-carbonyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23822532
N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23965951
5-[[cyclopropanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23736208
5-[[cyclopentanecarbonyl(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23741982
5-[[benzoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
CID 23820023
5-[[cyclopentyl(3-phenylpropanoyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23906085
5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23738652
N-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23857003
N-(cyclopropylmethyl)-5-[[2-(4-methoxyphenyl)ethyl-(pyridine-3-carbonyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23963547
5-[[(2,4-dichlorobenzoyl)-(thiophen-2-ylmethyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 23798375
5-[[3-cyclopentylpropanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
CID 23768647
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-phenylpropanamide
CID 5063733

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide (CID 23852883) is N-(cyclopropylmethyl)-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide is O=C(NCC1CC1)c1cc(CN(Cc2cccs2)C(=O)CCc2ccccc2)on1.
What is the InChIKey of N-(cyclopropylmethyl)-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is XIYHFVPPPWRSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c27-22(11-10-17-5-2-1-3-6-17)26(16-20-7-4-12-30-20)15-19-13-21(25-29-19)23(28)24-14-18-8-9-18/h1-7,12-13,18H,8-11,14-16H2,(H,24,28).
What are the key properties of N-(cyclopropylmethyl)-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide?
N-(cyclopropylmethyl)-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23852883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).