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

C15H17N5O3S — CID 71985268

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
SMILESCc1cc(NC(=O)CN(C)C(C)c2nc(-c3cccs3)no2)no1
InChIInChI=1S/C15H17N5O3S/c1-9-7-12(18-22-9)16-13(21)8-20(3)10(2)15-17-14(19-23-15)11-5-4-6-24-11/h4-7,10H,8H2,1-3H3,(H,16,18,21)
InChIKeyONTXFNGFUGYJLG-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.73
Rot. Bonds6

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

N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide (PubChem CID 71985268) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
PubChem CID71985268
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
SMILESCc1cc(NC(=O)CN(C)C(C)c2nc(-c3cccs3)no2)no1
InChIInChI=1S/C15H17N5O3S/c1-9-7-12(18-22-9)16-13(21)8-20(3)10(2)15-17-14(19-23-15)11-5-4-6-24-11/h4-7,10H,8H2,1-3H3,(H,16,18,21)
InChIKeyONTXFNGFUGYJLG-UHFFFAOYSA-N
XLogP2.73
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305505
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51282265
N-(5-methyl-1,2-oxazol-3-yl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide
CID 134001431
(1S)-N-[(2-chlorophenyl)methyl]-N-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 51936492
2-hydroxy-N-[3-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]acetamide
CID 111110044
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 55590960
2,2-dimethyl-N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 138997359
(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 40800258
[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl] N,N-diethylcarbamodithioate
CID 52574666
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 3662626
2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 55096844
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 60752359

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide (CID 71985268) is N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide is Cc1cc(NC(=O)CN(C)C(C)c2nc(-c3cccs3)no2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide?
The InChIKey is ONTXFNGFUGYJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c1-9-7-12(18-22-9)16-13(21)8-20(3)10(2)15-17-14(19-23-15)11-5-4-6-24-11/h4-7,10H,8H2,1-3H3,(H,16,18,21).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide has a molecular weight of 347.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide is sourced from PubChem (CID 71985268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).