N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C18H16N4O4S — CID 95803788

IUPACN-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccs2)no1)NCCn1c(=O)oc2ccccc21
InChIInChI=1S/C18H16N4O4S/c23-15(7-8-16-20-17(21-26-16)14-6-3-11-27-14)19-9-10-22-12-4-1-2-5-13(12)25-18(22)24/h1-6,11H,7-10H2,(H,19,23)
InChIKeyUPDNYJMSUUTPOJ-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.45
Rot. Bonds7

About N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 95803788) has the molecular formula C18H16N4O4S and a molecular weight of 384.42 g/mol. Its IUPAC name is N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID95803788
Molecular FormulaC18H16N4O4S
Molecular Weight384.42 g/mol
Exact Mass384.09
IUPAC NameN-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccs2)no1)NCCn1c(=O)oc2ccccc21
InChIInChI=1S/C18H16N4O4S/c23-15(7-8-16-20-17(21-26-16)14-6-3-11-27-14)19-9-10-22-12-4-1-2-5-13(12)25-18(22)24/h1-6,11H,7-10H2,(H,19,23)
InChIKeyUPDNYJMSUUTPOJ-UHFFFAOYSA-N
XLogP2.45
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-morpholin-4-ylethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 43045209
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CID 119504800
N-(3-aminobutyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119495002
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
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N-(4-phenoxybutyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18120241
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CID 51265544
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N-(2-morpholin-4-ylethyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 39717880
N-[(2-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18105801
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 56517219
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 95803788) is N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2cccs2)no1)NCCn1c(=O)oc2ccccc21.
What is the InChIKey of N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is UPDNYJMSUUTPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S/c23-15(7-8-16-20-17(21-26-16)14-6-3-11-27-14)19-9-10-22-12-4-1-2-5-13(12)25-18(22)24/h1-6,11H,7-10H2,(H,19,23).
What are the key properties of N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 384.42 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 95803788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).