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

C19H17N3O3 — CID 110766514

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
SMILESCn1c(=O)oc2cc(C(=O)NCCc3c[nH]c4ccccc34)ccc21
InChIInChI=1S/C19H17N3O3/c1-22-16-7-6-12(10-17(16)25-19(22)24)18(23)20-9-8-13-11-21-15-5-3-2-4-14(13)15/h2-7,10-11,21H,8-9H2,1H3,(H,20,23)
InChIKeyYZVDAQPVSCGZAL-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.59
Rot. Bonds4

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

N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide (PubChem CID 110766514) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
PubChem CID110766514
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
SMILESCn1c(=O)oc2cc(C(=O)NCCc3c[nH]c4ccccc34)ccc21
InChIInChI=1S/C19H17N3O3/c1-22-16-7-6-12(10-17(16)25-19(22)24)18(23)20-9-8-13-11-21-15-5-3-2-4-14(13)15/h2-7,10-11,21H,8-9H2,1H3,(H,20,23)
InChIKeyYZVDAQPVSCGZAL-UHFFFAOYSA-N
XLogP2.59
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 24663733
N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18532713
3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645310
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
N-[2-(1H-indol-3-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 17465860
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110683064
3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
CID 109055657
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
N-[2-(1H-indol-3-yl)ethyl]-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide
CID 121020867
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849781

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide (CID 110766514) is N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide is Cn1c(=O)oc2cc(C(=O)NCCc3c[nH]c4ccccc34)ccc21.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
The InChIKey is YZVDAQPVSCGZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-22-16-7-6-12(10-17(16)25-19(22)24)18(23)20-9-8-13-11-21-15-5-3-2-4-14(13)15/h2-7,10-11,21H,8-9H2,1H3,(H,20,23).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110766514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).