2-(dimethylamino)-N-[1-(1H-indol-7-yl)ethyl]-1,3-benzoxazole-6-carboxamide

C20H20N4O2 — CID 166339307

IUPAC2-(dimethylamino)-N-[1-(1H-indol-7-yl)ethyl]-1,3-benzoxazole-6-carboxamide
SMILESCC(NC(=O)c1ccc2nc(N(C)C)oc2c1)c1cccc2cc[nH]c12
InChIInChI=1S/C20H20N4O2/c1-12(15-6-4-5-13-9-10-21-18(13)15)22-19(25)14-7-8-16-17(11-14)26-20(23-16)24(2)3/h4-12,21H,1-3H3,(H,22,25)
InChIKeyPNCRHNWCARIYET-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.87
Rot. Bonds4

About 2-(dimethylamino)-N-[1-(1H-indol-7-yl)ethyl]-1,3-benzoxazole-6-carboxamide

2-(dimethylamino)-N-[1-(1H-indol-7-yl)ethyl]-1,3-benzoxazole-6-carboxamide (PubChem CID 166339307) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[1-(1H-indol-7-yl)ethyl]-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[1-(1H-indol-7-yl)ethyl]-1,3-benzoxazole-6-carboxamide
PubChem CID166339307
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-(dimethylamino)-N-[1-(1H-indol-7-yl)ethyl]-1,3-benzoxazole-6-carboxamide
SMILESCC(NC(=O)c1ccc2nc(N(C)C)oc2c1)c1cccc2cc[nH]c12
InChIInChI=1S/C20H20N4O2/c1-12(15-6-4-5-13-9-10-21-18(13)15)22-19(25)14-7-8-16-17(11-14)26-20(23-16)24(2)3/h4-12,21H,1-3H3,(H,22,25)
InChIKeyPNCRHNWCARIYET-UHFFFAOYSA-N
XLogP3.87
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[1-(1H-indol-7-yl)ethyl]-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[1-(1H-indol-7-yl)ethyl]-1,3-benzoxazole-6-carboxamide (CID 166339307) is 2-(dimethylamino)-N-[1-(1H-indol-7-yl)ethyl]-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[1-(1H-indol-7-yl)ethyl]-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[1-(1H-indol-7-yl)ethyl]-1,3-benzoxazole-6-carboxamide is CC(NC(=O)c1ccc2nc(N(C)C)oc2c1)c1cccc2cc[nH]c12.
What is the InChIKey of 2-(dimethylamino)-N-[1-(1H-indol-7-yl)ethyl]-1,3-benzoxazole-6-carboxamide?
The InChIKey is PNCRHNWCARIYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-12(15-6-4-5-13-9-10-21-18(13)15)22-19(25)14-7-8-16-17(11-14)26-20(23-16)24(2)3/h4-12,21H,1-3H3,(H,22,25).
What are the key properties of 2-(dimethylamino)-N-[1-(1H-indol-7-yl)ethyl]-1,3-benzoxazole-6-carboxamide?
2-(dimethylamino)-N-[1-(1H-indol-7-yl)ethyl]-1,3-benzoxazole-6-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[1-(1H-indol-7-yl)ethyl]-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 166339307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).