4-[2-cyclopropylsulfonyl-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-5-yl]morpholine

C18H21N3O4S — CID 134076435

IUPAC4-[2-cyclopropylsulfonyl-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-5-yl]morpholine
SMILESO=S(=O)(C1CC1)N1Cc2cc(N3CCOCC3)ccc2C1c1cnco1
InChIInChI=1S/C18H21N3O4S/c22-26(23,15-2-3-15)21-11-13-9-14(20-5-7-24-8-6-20)1-4-16(13)18(21)17-10-19-12-25-17/h1,4,9-10,12,15,18H,2-3,5-8,11H2
InChIKeyZXDXTWRDWFXMGJ-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.91
Rot. Bonds4

About 4-[2-cyclopropylsulfonyl-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-5-yl]morpholine

4-[2-cyclopropylsulfonyl-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-5-yl]morpholine (PubChem CID 134076435) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-[2-cyclopropylsulfonyl-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-cyclopropylsulfonyl-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-5-yl]morpholine
PubChem CID134076435
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name4-[2-cyclopropylsulfonyl-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-5-yl]morpholine
SMILESO=S(=O)(C1CC1)N1Cc2cc(N3CCOCC3)ccc2C1c1cnco1
InChIInChI=1S/C18H21N3O4S/c22-26(23,15-2-3-15)21-11-13-9-14(20-5-7-24-8-6-20)1-4-16(13)18(21)17-10-19-12-25-17/h1,4,9-10,12,15,18H,2-3,5-8,11H2
InChIKeyZXDXTWRDWFXMGJ-UHFFFAOYSA-N
XLogP1.91
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropylsulfonyl-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-5-yl]morpholine?
The IUPAC name of 4-[2-cyclopropylsulfonyl-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-5-yl]morpholine (CID 134076435) is 4-[2-cyclopropylsulfonyl-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-5-yl]morpholine.
What is the SMILES notation for 4-[2-cyclopropylsulfonyl-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-5-yl]morpholine?
The canonical SMILES for 4-[2-cyclopropylsulfonyl-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-5-yl]morpholine is O=S(=O)(C1CC1)N1Cc2cc(N3CCOCC3)ccc2C1c1cnco1.
What is the InChIKey of 4-[2-cyclopropylsulfonyl-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-5-yl]morpholine?
The InChIKey is ZXDXTWRDWFXMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c22-26(23,15-2-3-15)21-11-13-9-14(20-5-7-24-8-6-20)1-4-16(13)18(21)17-10-19-12-25-17/h1,4,9-10,12,15,18H,2-3,5-8,11H2.
What are the key properties of 4-[2-cyclopropylsulfonyl-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-5-yl]morpholine?
4-[2-cyclopropylsulfonyl-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-5-yl]morpholine has a molecular weight of 375.45 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropylsulfonyl-1-(1,3-oxazol-5-yl)-1,3-dihydroisoindol-5-yl]morpholine is sourced from PubChem (CID 134076435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).