[3-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

C16H21N5O3 — CID 91909975

IUPAC[3-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCC(c2nc(CCOCC3CC3)no2)C1
InChIInChI=1S/C16H21N5O3/c22-16(13-3-6-17-19-13)21-7-4-12(9-21)15-18-14(20-24-15)5-8-23-10-11-1-2-11/h3,6,11-12H,1-2,4-5,7-10H2,(H,17,19)
InChIKeyHPBFUMYAZXLOOU-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.39
Rot. Bonds7

About [3-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone

[3-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 91909975) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is [3-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID91909975
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name[3-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CCC(c2nc(CCOCC3CC3)no2)C1
InChIInChI=1S/C16H21N5O3/c22-16(13-3-6-17-19-13)21-7-4-12(9-21)15-18-14(20-24-15)5-8-23-10-11-1-2-11/h3,6,11-12H,1-2,4-5,7-10H2,(H,17,19)
InChIKeyHPBFUMYAZXLOOU-UHFFFAOYSA-N
XLogP1.39
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 91909975) is [3-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is O=C(c1ccn[nH]1)N1CCC(c2nc(CCOCC3CC3)no2)C1.
What is the InChIKey of [3-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is HPBFUMYAZXLOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c22-16(13-3-6-17-19-13)21-7-4-12(9-21)15-18-14(20-24-15)5-8-23-10-11-1-2-11/h3,6,11-12H,1-2,4-5,7-10H2,(H,17,19).
What are the key properties of [3-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[3-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 331.38 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 91909975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).