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

C14H18N4O3S — CID 38020884

IUPACN-[2-oxo-2-(propylamino)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCCNC(=O)CNC(=O)CCc1nnc(-c2ccsc2)o1
InChIInChI=1S/C14H18N4O3S/c1-2-6-15-12(20)8-16-11(19)3-4-13-17-18-14(21-13)10-5-7-22-9-10/h5,7,9H,2-4,6,8H2,1H3,(H,15,20)(H,16,19)
InChIKeyZDAWDMKJWDUWLC-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.37
Rot. Bonds8

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

N-[2-oxo-2-(propylamino)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 38020884) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[2-oxo-2-(propylamino)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-oxo-2-(propylamino)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID38020884
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-[2-oxo-2-(propylamino)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCCNC(=O)CNC(=O)CCc1nnc(-c2ccsc2)o1
InChIInChI=1S/C14H18N4O3S/c1-2-6-15-12(20)8-16-11(19)3-4-13-17-18-14(21-13)10-5-7-22-9-10/h5,7,9H,2-4,6,8H2,1H3,(H,15,20)(H,16,19)
InChIKeyZDAWDMKJWDUWLC-UHFFFAOYSA-N
XLogP1.37
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38039853
N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886384
N-(3-pyridin-3-ylpropyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 42521898
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55742327
N-[(5-bromothiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 32822433
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38037944
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38143535
N-[(2-methyl-4-propoxyphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 119046394
[3-(propylcarbamoylamino)phenyl] 3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoate
CID 56528840
N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38012862
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 42567051
N-[(1-phenylcyclopentyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38139231

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(propylamino)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[2-oxo-2-(propylamino)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 38020884) is N-[2-oxo-2-(propylamino)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[2-oxo-2-(propylamino)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[2-oxo-2-(propylamino)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is CCCNC(=O)CNC(=O)CCc1nnc(-c2ccsc2)o1.
What is the InChIKey of N-[2-oxo-2-(propylamino)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is ZDAWDMKJWDUWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-2-6-15-12(20)8-16-11(19)3-4-13-17-18-14(21-13)10-5-7-22-9-10/h5,7,9H,2-4,6,8H2,1H3,(H,15,20)(H,16,19).
What are the key properties of N-[2-oxo-2-(propylamino)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[2-oxo-2-(propylamino)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 322.39 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(propylamino)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 38020884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).