1-[5-[2-hydroxy-3-[3-[2-(propylamino)ethylamino]-1,2-oxazol-5-yl]phenyl]-2,3-dihydroindol-1-yl]ethanone

C24H28N4O3 — CID 167218866

IUPAC1-[5-[2-hydroxy-3-[3-[2-(propylamino)ethylamino]-1,2-oxazol-5-yl]phenyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCCCNCCNc1cc(-c2cccc(-c3ccc4c(c3)CCN4C(C)=O)c2O)on1
InChIInChI=1S/C24H28N4O3/c1-3-10-25-11-12-26-23-15-22(31-27-23)20-6-4-5-19(24(20)30)17-7-8-21-18(14-17)9-13-28(21)16(2)29/h4-8,14-15,25,30H,3,9-13H2,1-2H3,(H,26,27)
InChIKeyKEEWRHPPQJIMBE-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.03
Rot. Bonds8

About 1-[5-[2-hydroxy-3-[3-[2-(propylamino)ethylamino]-1,2-oxazol-5-yl]phenyl]-2,3-dihydroindol-1-yl]ethanone

1-[5-[2-hydroxy-3-[3-[2-(propylamino)ethylamino]-1,2-oxazol-5-yl]phenyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 167218866) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-[5-[2-hydroxy-3-[3-[2-(propylamino)ethylamino]-1,2-oxazol-5-yl]phenyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-hydroxy-3-[3-[2-(propylamino)ethylamino]-1,2-oxazol-5-yl]phenyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID167218866
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-[5-[2-hydroxy-3-[3-[2-(propylamino)ethylamino]-1,2-oxazol-5-yl]phenyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCCCNCCNc1cc(-c2cccc(-c3ccc4c(c3)CCN4C(C)=O)c2O)on1
InChIInChI=1S/C24H28N4O3/c1-3-10-25-11-12-26-23-15-22(31-27-23)20-6-4-5-19(24(20)30)17-7-8-21-18(14-17)9-13-28(21)16(2)29/h4-8,14-15,25,30H,3,9-13H2,1-2H3,(H,26,27)
InChIKeyKEEWRHPPQJIMBE-UHFFFAOYSA-N
XLogP4.03
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-7-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one;2,2,2-trifluoroacetic acid
CID 175832303
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 82540698
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide
CID 53109968
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one
CID 82540699
1-[5-[5-methyl-2-(prop-2-enylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone
CID 17453132
1-[5-[2-(4-hydroxyphenyl)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone
CID 135876242
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 1458252
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 53109956
2-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]acetic acid
CID 82368579
ethyl 2-[[4-(1-acetyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 43816449
1-[5-[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2,3-dihydroindol-1-yl]ethanone
CID 34275282
1-[5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylamino]-2,3-dihydroindol-1-yl]ethanone
CID 51078421

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-hydroxy-3-[3-[2-(propylamino)ethylamino]-1,2-oxazol-5-yl]phenyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[2-hydroxy-3-[3-[2-(propylamino)ethylamino]-1,2-oxazol-5-yl]phenyl]-2,3-dihydroindol-1-yl]ethanone (CID 167218866) is 1-[5-[2-hydroxy-3-[3-[2-(propylamino)ethylamino]-1,2-oxazol-5-yl]phenyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[2-hydroxy-3-[3-[2-(propylamino)ethylamino]-1,2-oxazol-5-yl]phenyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[2-hydroxy-3-[3-[2-(propylamino)ethylamino]-1,2-oxazol-5-yl]phenyl]-2,3-dihydroindol-1-yl]ethanone is CCCNCCNc1cc(-c2cccc(-c3ccc4c(c3)CCN4C(C)=O)c2O)on1.
What is the InChIKey of 1-[5-[2-hydroxy-3-[3-[2-(propylamino)ethylamino]-1,2-oxazol-5-yl]phenyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is KEEWRHPPQJIMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-3-10-25-11-12-26-23-15-22(31-27-23)20-6-4-5-19(24(20)30)17-7-8-21-18(14-17)9-13-28(21)16(2)29/h4-8,14-15,25,30H,3,9-13H2,1-2H3,(H,26,27).
What are the key properties of 1-[5-[2-hydroxy-3-[3-[2-(propylamino)ethylamino]-1,2-oxazol-5-yl]phenyl]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[2-hydroxy-3-[3-[2-(propylamino)ethylamino]-1,2-oxazol-5-yl]phenyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 420.51 g/mol, XLogP of 4.03, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-hydroxy-3-[3-[2-(propylamino)ethylamino]-1,2-oxazol-5-yl]phenyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 167218866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).