N-[4-[1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide

C21H22N4O3S — CID 55584877

IUPACN-[4-[1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)CCc1nnc(-c2ccsc2)o1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H22N4O3S/c1-13(14-4-6-17(7-5-14)23-20(27)15-2-3-15)22-18(26)8-9-19-24-25-21(28-19)16-10-11-29-12-16/h4-7,10-13,15H,2-3,8-9H2,1H3,(H,22,26)(H,23,27)
InChIKeyPQKHTUICUXFNDB-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.96
Rot. Bonds8

About N-[4-[1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 55584877) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[4-[1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID55584877
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-[4-[1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)CCc1nnc(-c2ccsc2)o1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H22N4O3S/c1-13(14-4-6-17(7-5-14)23-20(27)15-2-3-15)22-18(26)8-9-19-24-25-21(28-19)16-10-11-29-12-16/h4-7,10-13,15H,2-3,8-9H2,1H3,(H,22,26)(H,23,27)
InChIKeyPQKHTUICUXFNDB-UHFFFAOYSA-N
XLogP3.96
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38012862
N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886384
N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 134046785
2-cyclopropyl-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]acetic acid
CID 119213403
N-[1-(1-adamantyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55537188
N-[(1R)-1-phenylethyl]-2-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 95100273
N-[(1R)-1-cyclohexylpropyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 95280188
N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 42943191
N-[4-[1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 43058094
N-(4-piperidin-1-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55536464
N-[(2R)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 42243962
methyl 5-[[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]amino]-5-oxopentanoate
CID 97347644

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide (CID 55584877) is N-[4-[1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide is CC(NC(=O)CCc1nnc(-c2ccsc2)o1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is PQKHTUICUXFNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-13(14-4-6-17(7-5-14)23-20(27)15-2-3-15)22-18(26)8-9-19-24-25-21(28-19)16-10-11-29-12-16/h4-7,10-13,15H,2-3,8-9H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[4-[1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55584877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).