(5R)-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C19H21N3O2 — CID 29056643

IUPAC(5R)-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESC[C@@H]1CCc2onc(C(=O)NCCc3c[nH]c4ccccc34)c2C1
InChIInChI=1S/C19H21N3O2/c1-12-6-7-17-15(10-12)18(22-24-17)19(23)20-9-8-13-11-21-16-5-3-2-4-14(13)16/h2-5,11-12,21H,6-10H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyOKRNHOBXAQYLIH-GFCCVEGCSA-N
MW323.40 g/mol
LogP3.25
Rot. Bonds4

About (5R)-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

(5R)-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 29056643) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (5R)-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID29056643
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(5R)-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESC[C@@H]1CCc2onc(C(=O)NCCc3c[nH]c4ccccc34)c2C1
InChIInChI=1S/C19H21N3O2/c1-12-6-7-17-15(10-12)18(22-24-17)19(23)20-9-8-13-11-21-16-5-3-2-4-14(13)16/h2-5,11-12,21H,6-10H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyOKRNHOBXAQYLIH-GFCCVEGCSA-N
XLogP3.25
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5R)-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide with MolForge

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Related Compounds

(6S)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 2114335
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044889
2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 109247506
3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645186
5-methyl-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254461
N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide
CID 108943642
N-[2-(1H-indol-3-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581080
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 27644813
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645310
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide
CID 4874239

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of (5R)-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 29056643) is (5R)-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for (5R)-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for (5R)-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is C[C@@H]1CCc2onc(C(=O)NCCc3c[nH]c4ccccc34)c2C1.
What is the InChIKey of (5R)-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is OKRNHOBXAQYLIH-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-6-7-17-15(10-12)18(22-24-17)19(23)20-9-8-13-11-21-16-5-3-2-4-14(13)16/h2-5,11-12,21H,6-10H2,1H3,(H,20,23)/t12-/m1/s1.
What are the key properties of (5R)-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
(5R)-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 29056643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).