2-cyclopropyl-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]acetic acid

C14H15N3O4S — CID 119213403

IUPAC2-cyclopropyl-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]acetic acid
SMILESO=C(CCc1nnc(-c2ccsc2)o1)NC(C(=O)O)C1CC1
InChIInChI=1S/C14H15N3O4S/c18-10(15-12(14(19)20)8-1-2-8)3-4-11-16-17-13(21-11)9-5-6-22-7-9/h5-8,12H,1-4H2,(H,15,18)(H,19,20)
InChIKeyMVPIHHPXFACLTI-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.71
Rot. Bonds7

About 2-cyclopropyl-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]acetic acid

2-cyclopropyl-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]acetic acid (PubChem CID 119213403) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]acetic acid
PubChem CID119213403
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name2-cyclopropyl-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]acetic acid
SMILESO=C(CCc1nnc(-c2ccsc2)o1)NC(C(=O)O)C1CC1
InChIInChI=1S/C14H15N3O4S/c18-10(15-12(14(19)20)8-1-2-8)3-4-11-16-17-13(21-11)9-5-6-22-7-9/h5-8,12H,1-4H2,(H,15,18)(H,19,20)
InChIKeyMVPIHHPXFACLTI-UHFFFAOYSA-N
XLogP1.71
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 134046785
N-[(1R)-1-cyclohexylpropyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 95280188
N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886384
N-[1-(1-adamantyl)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55537188
N-[4-[1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55584877
N-[phenyl(pyridin-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 134046683
3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethyl]propanamide
CID 45206760
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
N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38012862
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-methylphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38039853
N-[2-oxo-2-(propylamino)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38020884

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]acetic acid (CID 119213403) is 2-cyclopropyl-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]acetic acid is O=C(CCc1nnc(-c2ccsc2)o1)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]acetic acid?
The InChIKey is MVPIHHPXFACLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c18-10(15-12(14(19)20)8-1-2-8)3-4-11-16-17-13(21-11)9-5-6-22-7-9/h5-8,12H,1-4H2,(H,15,18)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]acetic acid?
2-cyclopropyl-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]acetic acid has a molecular weight of 321.36 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]acetic acid is sourced from PubChem (CID 119213403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).