2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

C13H17N3O4 — CID 114390496

IUPAC2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)Nc2nnc(C3CC3)o2)C1
InChIInChI=1S/C13H17N3O4/c1-6-4-8(9(5-6)12(18)19)10(17)14-13-16-15-11(20-13)7-2-3-7/h6-9H,2-5H2,1H3,(H,18,19)(H,14,16,17)
InChIKeyNIWGXYWWQZXJDJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.63
Rot. Bonds4

About 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114390496) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID114390496
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)Nc2nnc(C3CC3)o2)C1
InChIInChI=1S/C13H17N3O4/c1-6-4-8(9(5-6)12(18)19)10(17)14-13-16-15-11(20-13)7-2-3-7/h6-9H,2-5H2,1H3,(H,18,19)(H,14,16,17)
InChIKeyNIWGXYWWQZXJDJ-UHFFFAOYSA-N
XLogP1.63
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 114390496) is 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)Nc2nnc(C3CC3)o2)C1.
What is the InChIKey of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is NIWGXYWWQZXJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-6-4-8(9(5-6)12(18)19)10(17)14-13-16-15-11(20-13)7-2-3-7/h6-9H,2-5H2,1H3,(H,18,19)(H,14,16,17).
What are the key properties of 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).