N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide

C19H25N5O3S — CID 8689948

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
SMILESCCCN(CC(=O)Nc1cc(C(C)(C)C)no1)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C19H25N5O3S/c1-5-8-24(12-17-21-22-18(26-17)13-7-6-9-28-13)11-15(25)20-16-10-14(23-27-16)19(2,3)4/h6-7,9-10H,5,8,11-12H2,1-4H3,(H,20,25)
InChIKeyYLKZBRRKHVNZPH-UHFFFAOYSA-N
MW403.51 g/mol
LogP3.93
Rot. Bonds8

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide (PubChem CID 8689948) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
PubChem CID8689948
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
SMILESCCCN(CC(=O)Nc1cc(C(C)(C)C)no1)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C19H25N5O3S/c1-5-8-24(12-17-21-22-18(26-17)13-7-6-9-28-13)11-15(25)20-16-10-14(23-27-16)19(2,3)4/h6-7,9-10H,5,8,11-12H2,1-4H3,(H,20,25)
InChIKeyYLKZBRRKHVNZPH-UHFFFAOYSA-N
XLogP3.93
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-propan-2-ylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 9372310
ethyl 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate
CID 60673442
N-(5-chloro-2-fluorophenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 9372262
methyl 3-[[2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]amino]thiophene-2-carboxylate
CID 24566610
N-(4-chloro-2-methylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 9374987
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 24566612
N-[2-(difluoromethylsulfanyl)phenyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 39965014
N-(4-nitrophenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 9374912
N-[1-(4-ethylphenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 18088478
2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 18197617
N-(cyclopentylcarbamoyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 9371955
2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9375353

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide (CID 8689948) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide is CCCN(CC(=O)Nc1cc(C(C)(C)C)no1)Cc1nnc(-c2cccs2)o1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
The InChIKey is YLKZBRRKHVNZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-5-8-24(12-17-21-22-18(26-17)13-7-6-9-28-13)11-15(25)20-16-10-14(23-27-16)19(2,3)4/h6-7,9-10H,5,8,11-12H2,1-4H3,(H,20,25).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide has a molecular weight of 403.51 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 8689948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).