N-butyl-2-(1H-indol-2-yl)-5-phenyl-1,3-oxazole-4-carboxamide

C22H21N3O2 — CID 53383748

IUPACN-butyl-2-(1H-indol-2-yl)-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCCCCNC(=O)c1nc(-c2cc3ccccc3[nH]2)oc1-c1ccccc1
InChIInChI=1S/C22H21N3O2/c1-2-3-13-23-21(26)19-20(15-9-5-4-6-10-15)27-22(25-19)18-14-16-11-7-8-12-17(16)24-18/h4-12,14,24H,2-3,13H2,1H3,(H,23,26)
InChIKeyFUVMIYTYYYFULY-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.02
Rot. Bonds6

About N-butyl-2-(1H-indol-2-yl)-5-phenyl-1,3-oxazole-4-carboxamide

N-butyl-2-(1H-indol-2-yl)-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 53383748) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-butyl-2-(1H-indol-2-yl)-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(1H-indol-2-yl)-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID53383748
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-butyl-2-(1H-indol-2-yl)-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCCCCNC(=O)c1nc(-c2cc3ccccc3[nH]2)oc1-c1ccccc1
InChIInChI=1S/C22H21N3O2/c1-2-3-13-23-21(26)19-20(15-9-5-4-6-10-15)27-22(25-19)18-14-16-11-7-8-12-17(16)24-18/h4-12,14,24H,2-3,13H2,1H3,(H,23,26)
InChIKeyFUVMIYTYYYFULY-UHFFFAOYSA-N
XLogP5.02
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-butyl-2-(1H-indol-2-yl)-5-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-butyl-2-(1H-indol-2-yl)-5-phenyl-1,3-oxazole-4-carboxamide (CID 53383748) is N-butyl-2-(1H-indol-2-yl)-5-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-butyl-2-(1H-indol-2-yl)-5-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-butyl-2-(1H-indol-2-yl)-5-phenyl-1,3-oxazole-4-carboxamide is CCCCNC(=O)c1nc(-c2cc3ccccc3[nH]2)oc1-c1ccccc1.
What is the InChIKey of N-butyl-2-(1H-indol-2-yl)-5-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is FUVMIYTYYYFULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-2-3-13-23-21(26)19-20(15-9-5-4-6-10-15)27-22(25-19)18-14-16-11-7-8-12-17(16)24-18/h4-12,14,24H,2-3,13H2,1H3,(H,23,26).
What are the key properties of N-butyl-2-(1H-indol-2-yl)-5-phenyl-1,3-oxazole-4-carboxamide?
N-butyl-2-(1H-indol-2-yl)-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(1H-indol-2-yl)-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53383748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).