N-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C20H28N4O2S — CID 135334854

IUPACN-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCN1CC2CCC(C1)N2CCCCCNC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C20H28N4O2S/c1-23-13-15-7-8-16(14-23)24(15)10-4-2-3-9-21-20(25)17-12-18(26-22-17)19-6-5-11-27-19/h5-6,11-12,15-16H,2-4,7-10,13-14H2,1H3,(H,21,25)
InChIKeyIOMJNTPHCFUARZ-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.08
Rot. Bonds8

About N-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 135334854) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID135334854
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC NameN-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCN1CC2CCC(C1)N2CCCCCNC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C20H28N4O2S/c1-23-13-15-7-8-16(14-23)24(15)10-4-2-3-9-21-20(25)17-12-18(26-22-17)19-6-5-11-27-19/h5-6,11-12,15-16H,2-4,7-10,13-14H2,1H3,(H,21,25)
InChIKeyIOMJNTPHCFUARZ-UHFFFAOYSA-N
XLogP3.08
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(3-methylpiperidin-1-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 163542403
methyl 1-[5-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentyl]azetidine-3-carboxylate
CID 135334759
N-[5-[(3R,4R)-3-carbamoyl-4-hydroxypyrrolidin-1-yl]pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 146446912
6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 43170031
N-(5-morpholin-4-ylpentyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 135334778
methyl 4-[5-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentyl]piperazine-1-carboxylate
CID 135334809
N-[5-[3-[(4-hydroxyoxolan-3-yl)carbamoyl]azetidin-1-yl]pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 146446965
boranuide;N-(5-hydroxypentyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-(5-oxopentyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 160849837
N-[3-[(5-methylpyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 131990203
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 176776996
N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 131990205
N-[3-[(6-aminopyrazine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 118877092

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 135334854) is N-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is CN1CC2CCC(C1)N2CCCCCNC(=O)c1cc(-c2cccs2)on1.
What is the InChIKey of N-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is IOMJNTPHCFUARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-23-13-15-7-8-16(14-23)24(15)10-4-2-3-9-21-20(25)17-12-18(26-22-17)19-6-5-11-27-19/h5-6,11-12,15-16H,2-4,7-10,13-14H2,1H3,(H,21,25).
What are the key properties of N-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 135334854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).