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

C18H20N4O5 — CID 122084935

IUPAC1-[[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)C1
InChIInChI=1S/C18H20N4O5/c23-17(24)12-7-8-22(9-12)18(25)19-13-3-5-14(6-4-13)26-10-15-20-16(27-21-15)11-1-2-11/h3-6,11-12H,1-2,7-10H2,(H,19,25)(H,23,24)
InChIKeyYVJPPROKYVIRAM-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.46
Rot. Bonds6

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

1-[[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122084935) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is 1-[[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122084935
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name1-[[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)C1
InChIInChI=1S/C18H20N4O5/c23-17(24)12-7-8-22(9-12)18(25)19-13-3-5-14(6-4-13)26-10-15-20-16(27-21-15)11-1-2-11/h3-6,11-12H,1-2,7-10H2,(H,19,25)(H,23,24)
InChIKeyYVJPPROKYVIRAM-UHFFFAOYSA-N
XLogP2.46
TPSA117.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]carbamoyl]pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

2-amino-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetamide
CID 119323625
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119783693
3-amino-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119783657
1-[[4-(2,2-difluoroethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086163
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-2-carboxamide
CID 119323633
(2R)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,4-dioxane-2-carboxamide
CID 97314801
4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]benzamide;hydrochloride
CID 119323634
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-pyrrolidin-2-ylacetamide
CID 119783690
4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]oxane-4-carboxamide;hydrochloride
CID 120932450
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119783689
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119783651
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119323619

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 122084935) is 1-[[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]carbamoyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)C1.
What is the InChIKey of 1-[[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YVJPPROKYVIRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c23-17(24)12-7-8-22(9-12)18(25)19-13-3-5-14(6-4-13)26-10-15-20-16(27-21-15)11-1-2-11/h3-6,11-12H,1-2,7-10H2,(H,19,25)(H,23,24).
What are the key properties of 1-[[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]carbamoyl]pyrrolidine-3-carboxylic acid?
1-[[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 372.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122084935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).