N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1,2-oxazole-5-carboxamide

C17H13N3O3 — CID 41149488

IUPACN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1,2-oxazole-5-carboxamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)c4ccno4)ccc1c23
InChIInChI=1S/C17H13N3O3/c1-2-20-13-7-6-12(19-16(21)14-8-9-18-23-14)10-4-3-5-11(15(10)13)17(20)22/h3-9H,2H2,1H3,(H,19,21)
InChIKeyBXAXZDGHPXKHCT-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.06
Rot. Bonds3

About N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1,2-oxazole-5-carboxamide

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1,2-oxazole-5-carboxamide (PubChem CID 41149488) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1,2-oxazole-5-carboxamide
PubChem CID41149488
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1,2-oxazole-5-carboxamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)c4ccno4)ccc1c23
InChIInChI=1S/C17H13N3O3/c1-2-20-13-7-6-12(19-16(21)14-8-9-18-23-14)10-4-3-5-11(15(10)13)17(20)22/h3-9H,2H2,1H3,(H,19,21)
InChIKeyBXAXZDGHPXKHCT-UHFFFAOYSA-N
XLogP3.06
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1,2-oxazole-5-carboxamide (CID 41149488) is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1,2-oxazole-5-carboxamide is CCN1C(=O)c2cccc3c(NC(=O)c4ccno4)ccc1c23.
What is the InChIKey of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is BXAXZDGHPXKHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-2-20-13-7-6-12(19-16(21)14-8-9-18-23-14)10-4-3-5-11(15(10)13)17(20)22/h3-9H,2H2,1H3,(H,19,21).
What are the key properties of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1,2-oxazole-5-carboxamide?
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 41149488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).