N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-2-carboxamide

C17H20N4O3 — CID 119323633

IUPACN-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)C1CCCN1
InChIInChI=1S/C17H20N4O3/c22-16(14-2-1-9-18-14)19-12-5-7-13(8-6-12)23-10-15-20-17(24-21-15)11-3-4-11/h5-8,11,14,18H,1-4,9-10H2,(H,19,22)
InChIKeyAFBIESVWSOIVCN-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.22
Rot. Bonds6

About N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-2-carboxamide

N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-2-carboxamide (PubChem CID 119323633) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-2-carboxamide
PubChem CID119323633
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)C1CCCN1
InChIInChI=1S/C17H20N4O3/c22-16(14-2-1-9-18-14)19-12-5-7-13(8-6-12)23-10-15-20-17(24-21-15)11-3-4-11/h5-8,11,14,18H,1-4,9-10H2,(H,19,22)
InChIKeyAFBIESVWSOIVCN-UHFFFAOYSA-N
XLogP2.22
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-pyrrolidin-2-ylacetamide
CID 119783690
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]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119323619
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119783693
(2R)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-1,4-dioxane-2-carboxamide
CID 97314801
3-amino-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119783657
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119783667
2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901157
4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]benzamide;hydrochloride
CID 119323634
4-(aminomethyl)-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]oxane-4-carboxamide;hydrochloride
CID 120932450
1-[[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122084935

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-2-carboxamide (CID 119323633) is N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)C1CCCN1.
What is the InChIKey of N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is AFBIESVWSOIVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-16(14-2-1-9-18-14)19-12-5-7-13(8-6-12)23-10-15-20-17(24-21-15)11-3-4-11/h5-8,11,14,18H,1-4,9-10H2,(H,19,22).
What are the key properties of N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-2-carboxamide?
N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119323633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).