(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone

C21H27N3O3 — CID 110634555

IUPAC(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
SMILESCc1onc(C(C)(C)C)c1C(=O)N1CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C21H27N3O3/c1-14-18(19(22-27-14)21(2,3)4)20(25)24-8-7-15-13-16(5-6-17(15)24)23-9-11-26-12-10-23/h5-6,13H,7-12H2,1-4H3
InChIKeySFBZXFISKDBYIN-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.32
Rot. Bonds2

About (3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone

(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone (PubChem CID 110634555) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
PubChem CID110634555
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
SMILESCc1onc(C(C)(C)C)c1C(=O)N1CCc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C21H27N3O3/c1-14-18(19(22-27-14)21(2,3)4)20(25)24-8-7-15-13-16(5-6-17(15)24)23-9-11-26-12-10-23/h5-6,13H,7-12H2,1-4H3
InChIKeySFBZXFISKDBYIN-UHFFFAOYSA-N
XLogP3.32
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110634556
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
(4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110316193
(5-fluoro-2-methyl-1H-indol-3-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110634557
N-[3-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 110355069
5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 110316221
2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 110316227
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(6-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 110634505
3-(3-fluorophenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 110634561
2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one
CID 110355070
(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 110316076
1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione
CID 110634574

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone (CID 110634555) is (3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone is Cc1onc(C(C)(C)C)c1C(=O)N1CCc2cc(N3CCOCC3)ccc21.
What is the InChIKey of (3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is SFBZXFISKDBYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14-18(19(22-27-14)21(2,3)4)20(25)24-8-7-15-13-16(5-6-17(15)24)23-9-11-26-12-10-23/h5-6,13H,7-12H2,1-4H3.
What are the key properties of (3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone?
(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 369.47 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 110634555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).