N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C21H19N3O2 — CID 2060921

IUPACN-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H19N3O2/c1-14-19(20(24-26-14)15-7-3-2-4-8-15)21(25)22-12-11-16-13-23-18-10-6-5-9-17(16)18/h2-10,13,23H,11-12H2,1H3,(H,22,25)
InChIKeyPYUCKKYNWRPHDN-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.10
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 2060921) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID2060921
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H19N3O2/c1-14-19(20(24-26-14)15-7-3-2-4-8-15)21(25)22-12-11-16-13-23-18-10-6-5-9-17(16)18/h2-10,13,23H,11-12H2,1H3,(H,22,25)
InChIKeyPYUCKKYNWRPHDN-UHFFFAOYSA-N
XLogP4.10
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(3-methylisoxazol-5-yl)-1H-indole-7-carboxamide
CID 507858
6-fluoro-3-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 141745660
5-Methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22015566
3,5-Dimethyl-isoxazole-4-carboxylic acid [2-(2-methyl-1H-indol-3-yl)-ethyl]-amide
CID 24792447
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 57392014
3-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 24983174
5-methyl-6-phenyl-3-(pyridin-3-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579325
N-tert-butyl-2-(1-((3,5-dimethylisoxazol-4-yl)methyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl)-2-methylpropanamide
CID 25101527
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethyl)indol-1-yl]-N-hydroxyhexanamide
CID 141736086
6-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)indol-1-yl]-N-hydroxyhexanamide
CID 141736087
7-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)indol-1-yl]-N-hydroxyheptanamide
CID 141736089
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-fluorophenyl)methyl]indol-1-yl]-N-hydroxyhexanamide
CID 141736090

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 2060921) is N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is PYUCKKYNWRPHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-19(20(24-26-14)15-7-3-2-4-8-15)21(25)22-12-11-16-13-23-18-10-6-5-9-17(16)18/h2-10,13,23H,11-12H2,1H3,(H,22,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2060921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).