(4-cyclopropyl-1,3-oxazol-5-yl)-[2-(2,3-dihydroindol-1-ylmethyl)pyrrolidin-1-yl]methanone

C20H23N3O2 — CID 154758442

IUPAC(4-cyclopropyl-1,3-oxazol-5-yl)-[2-(2,3-dihydroindol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ocnc1C1CC1)N1CCCC1CN1CCc2ccccc21
InChIInChI=1S/C20H23N3O2/c24-20(19-18(15-7-8-15)21-13-25-19)23-10-3-5-16(23)12-22-11-9-14-4-1-2-6-17(14)22/h1-2,4,6,13,15-16H,3,5,7-12H2
InChIKeySUVNIRFFAACFKS-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.22
Rot. Bonds4

About (4-cyclopropyl-1,3-oxazol-5-yl)-[2-(2,3-dihydroindol-1-ylmethyl)pyrrolidin-1-yl]methanone

(4-cyclopropyl-1,3-oxazol-5-yl)-[2-(2,3-dihydroindol-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 154758442) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (4-cyclopropyl-1,3-oxazol-5-yl)-[2-(2,3-dihydroindol-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-1,3-oxazol-5-yl)-[2-(2,3-dihydroindol-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID154758442
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(4-cyclopropyl-1,3-oxazol-5-yl)-[2-(2,3-dihydroindol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ocnc1C1CC1)N1CCCC1CN1CCc2ccccc21
InChIInChI=1S/C20H23N3O2/c24-20(19-18(15-7-8-15)21-13-25-19)23-10-3-5-16(23)12-22-11-9-14-4-1-2-6-17(14)22/h1-2,4,6,13,15-16H,3,5,7-12H2
InChIKeySUVNIRFFAACFKS-UHFFFAOYSA-N
XLogP3.22
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-1,3-oxazol-5-yl)-[2-(2,3-dihydroindol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-cyclopropyl-1,3-oxazol-5-yl)-[2-(2,3-dihydroindol-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 154758442) is (4-cyclopropyl-1,3-oxazol-5-yl)-[2-(2,3-dihydroindol-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-cyclopropyl-1,3-oxazol-5-yl)-[2-(2,3-dihydroindol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-cyclopropyl-1,3-oxazol-5-yl)-[2-(2,3-dihydroindol-1-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1ocnc1C1CC1)N1CCCC1CN1CCc2ccccc21.
What is the InChIKey of (4-cyclopropyl-1,3-oxazol-5-yl)-[2-(2,3-dihydroindol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is SUVNIRFFAACFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-20(19-18(15-7-8-15)21-13-25-19)23-10-3-5-16(23)12-22-11-9-14-4-1-2-6-17(14)22/h1-2,4,6,13,15-16H,3,5,7-12H2.
What are the key properties of (4-cyclopropyl-1,3-oxazol-5-yl)-[2-(2,3-dihydroindol-1-ylmethyl)pyrrolidin-1-yl]methanone?
(4-cyclopropyl-1,3-oxazol-5-yl)-[2-(2,3-dihydroindol-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 337.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-1,3-oxazol-5-yl)-[2-(2,3-dihydroindol-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 154758442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).