1-[2-(dimethylamino)ethyl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)indole-3-carboxamide

C20H20N4O3 — CID 167847799

IUPAC1-[2-(dimethylamino)ethyl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)indole-3-carboxamide
SMILESCN(C)CCn1cc(C(=O)Nc2cccc3[nH]c(=O)oc23)c2ccccc21
InChIInChI=1S/C20H20N4O3/c1-23(2)10-11-24-12-14(13-6-3-4-9-17(13)24)19(25)21-15-7-5-8-16-18(15)27-20(26)22-16/h3-9,12H,10-11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyDLSBACXGEFFDCE-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.89
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)indole-3-carboxamide

1-[2-(dimethylamino)ethyl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)indole-3-carboxamide (PubChem CID 167847799) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)indole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)indole-3-carboxamide
PubChem CID167847799
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-[2-(dimethylamino)ethyl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)indole-3-carboxamide
SMILESCN(C)CCn1cc(C(=O)Nc2cccc3[nH]c(=O)oc23)c2ccccc21
InChIInChI=1S/C20H20N4O3/c1-23(2)10-11-24-12-14(13-6-3-4-9-17(13)24)19(25)21-15-7-5-8-16-18(15)27-20(26)22-16/h3-9,12H,10-11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyDLSBACXGEFFDCE-UHFFFAOYSA-N
XLogP2.89
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide
CID 71883345
1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide
CID 24661406
1-[2-(diethylamino)ethyl]-N-methylindole-3-carboxamide
CID 67785662
N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-indole-7-carboxamide
CID 112522853
6-fluoro-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-2H-benzotriazole-5-carboxamide
CID 167969035
N-[2-(dimethylcarbamoyl)phenyl]-1-(2-methylpropyl)indole-3-carboxamide
CID 87036364
3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide
CID 112522725
2-[[1-[(4-bromophenyl)methyl]indole-3-carbonyl]amino]benzoic acid
CID 172864246
1-(2-fluorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 167973002
2-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylethanamine
CID 66409955
1-(2-fluoropentyl)-N-naphthalen-1-ylindole-3-carboxamide
CID 132989244
2-(4-aminopyrazol-1-yl)-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide
CID 155962162

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)indole-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)indole-3-carboxamide (CID 167847799) is 1-[2-(dimethylamino)ethyl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)indole-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)indole-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)indole-3-carboxamide is CN(C)CCn1cc(C(=O)Nc2cccc3[nH]c(=O)oc23)c2ccccc21.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)indole-3-carboxamide?
The InChIKey is DLSBACXGEFFDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-23(2)10-11-24-12-14(13-6-3-4-9-17(13)24)19(25)21-15-7-5-8-16-18(15)27-20(26)22-16/h3-9,12H,10-11H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)indole-3-carboxamide?
1-[2-(dimethylamino)ethyl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)indole-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)indole-3-carboxamide is sourced from PubChem (CID 167847799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).