3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-morpholin-2-ylpropyl)-1H-indole-6-carboxamide

C21H26N4O3 — CID 175132387

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-morpholin-2-ylpropyl)-1H-indole-6-carboxamide
SMILESCc1noc(C)c1-c1c[nH]c2cc(C(=O)NCCCC3CNCCO3)ccc12
InChIInChI=1S/C21H26N4O3/c1-13-20(14(2)28-25-13)18-12-24-19-10-15(5-6-17(18)19)21(26)23-7-3-4-16-11-22-8-9-27-16/h5-6,10,12,16,22,24H,3-4,7-9,11H2,1-2H3,(H,23,26)
InChIKeyUDBNHCAZWJSXQD-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.94
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-morpholin-2-ylpropyl)-1H-indole-6-carboxamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-morpholin-2-ylpropyl)-1H-indole-6-carboxamide (PubChem CID 175132387) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-morpholin-2-ylpropyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-morpholin-2-ylpropyl)-1H-indole-6-carboxamide
PubChem CID175132387
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-morpholin-2-ylpropyl)-1H-indole-6-carboxamide
SMILESCc1noc(C)c1-c1c[nH]c2cc(C(=O)NCCCC3CNCCO3)ccc12
InChIInChI=1S/C21H26N4O3/c1-13-20(14(2)28-25-13)18-12-24-19-10-15(5-6-17(18)19)21(26)23-7-3-4-16-11-22-8-9-27-16/h5-6,10,12,16,22,24H,3-4,7-9,11H2,1-2H3,(H,23,26)
InChIKeyUDBNHCAZWJSXQD-UHFFFAOYSA-N
XLogP2.94
TPSA92.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-morpholin-2-ylpropyl)-1H-indole-6-carboxamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-morpholin-2-ylpropyl)-1H-indole-6-carboxamide (CID 175132387) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-morpholin-2-ylpropyl)-1H-indole-6-carboxamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-morpholin-2-ylpropyl)-1H-indole-6-carboxamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-morpholin-2-ylpropyl)-1H-indole-6-carboxamide is Cc1noc(C)c1-c1c[nH]c2cc(C(=O)NCCCC3CNCCO3)ccc12.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-morpholin-2-ylpropyl)-1H-indole-6-carboxamide?
The InChIKey is UDBNHCAZWJSXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-13-20(14(2)28-25-13)18-12-24-19-10-15(5-6-17(18)19)21(26)23-7-3-4-16-11-22-8-9-27-16/h5-6,10,12,16,22,24H,3-4,7-9,11H2,1-2H3,(H,23,26).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-morpholin-2-ylpropyl)-1H-indole-6-carboxamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-morpholin-2-ylpropyl)-1H-indole-6-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-morpholin-2-ylpropyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 175132387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).