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

C22H33N3O4 — CID 23768647

IUPAC5-[[3-cyclopentylpropanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CC1)c1cc(CN(CC2CCCO2)C(=O)CCC2CCCC2)on1
InChIInChI=1S/C22H33N3O4/c26-21(10-9-16-4-1-2-5-16)25(14-18-6-3-11-28-18)15-19-12-20(24-29-19)22(27)23-13-17-7-8-17/h12,16-18H,1-11,13-15H2,(H,23,27)
InChIKeyKMINUFSIPFSBTF-UHFFFAOYSA-N
MW403.52 g/mol
LogP3.29
Rot. Bonds10

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

5-[[3-cyclopentylpropanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 23768647) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is 5-[[3-cyclopentylpropanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[[3-cyclopentylpropanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID23768647
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Name5-[[3-cyclopentylpropanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CC1)c1cc(CN(CC2CCCO2)C(=O)CCC2CCCC2)on1
InChIInChI=1S/C22H33N3O4/c26-21(10-9-16-4-1-2-5-16)25(14-18-6-3-11-28-18)15-19-12-20(24-29-19)22(27)23-13-17-7-8-17/h12,16-18H,1-11,13-15H2,(H,23,27)
InChIKeyKMINUFSIPFSBTF-UHFFFAOYSA-N
XLogP3.29
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[benzoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
CID 23820023
5-[[cyclopentanecarbonyl(oxolan-2-ylmethyl)amino]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 23938870
3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369165
3-cyclopentyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
CID 42771678
5-[[cyclopentyl-(4-fluorobenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide
CID 23852983
5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23738652
N-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326032
N-(cyclopropylmethyl)-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23852883
2-[[octanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(oxolan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 4676546
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96574907
N-(cyclopropylmethyl)-5-[[thiophene-2-carbonyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23822532
3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209719

Frequently Asked Questions

What is the IUPAC name of 5-[[3-cyclopentylpropanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[[3-cyclopentylpropanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide (CID 23768647) is 5-[[3-cyclopentylpropanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[[3-cyclopentylpropanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[[3-cyclopentylpropanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CC1)c1cc(CN(CC2CCCO2)C(=O)CCC2CCCC2)on1.
What is the InChIKey of 5-[[3-cyclopentylpropanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KMINUFSIPFSBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c26-21(10-9-16-4-1-2-5-16)25(14-18-6-3-11-28-18)15-19-12-20(24-29-19)22(27)23-13-17-7-8-17/h12,16-18H,1-11,13-15H2,(H,23,27).
What are the key properties of 5-[[3-cyclopentylpropanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide?
5-[[3-cyclopentylpropanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-cyclopentylpropanoyl(oxolan-2-ylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23768647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).