2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)indole-1-carboxamide

C23H23N3O3 — CID 67109704

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)indole-1-carboxamide
SMILESCCNC(=O)n1c(-c2c(C)noc2C)c(-c2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C23H23N3O3/c1-5-24-23(27)26-19-9-7-6-8-18(19)21(16-10-12-17(28-4)13-11-16)22(26)20-14(2)25-29-15(20)3/h6-13H,5H2,1-4H3,(H,24,27)
InChIKeyFVHISKJMPSFNHM-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.17
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)indole-1-carboxamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)indole-1-carboxamide (PubChem CID 67109704) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)indole-1-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)indole-1-carboxamide
PubChem CID67109704
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)indole-1-carboxamide
SMILESCCNC(=O)n1c(-c2c(C)noc2C)c(-c2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C23H23N3O3/c1-5-24-23(27)26-19-9-7-6-8-18(19)21(16-10-12-17(28-4)13-11-16)22(26)20-14(2)25-29-15(20)3/h6-13H,5H2,1-4H3,(H,24,27)
InChIKeyFVHISKJMPSFNHM-UHFFFAOYSA-N
XLogP5.17
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-hydroxyphenyl)indole-1-carboxamide
CID 51347934
2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxyphenyl)indole-1-carbaldehyde
CID 67108937
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(E)-hydroxyiminomethyl]indol-3-yl]phenol
CID 87271783
4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole
CID 118721631
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl]acetamide;2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-amine;N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxyphenyl)indol-3-yl]acetamide;4-[1-(4-methoxyphenyl)-3-nitroindol-2-yl]-3,5-dimethyl-1,2-oxazole
CID 159238061
1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone
CID 672266
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 30272063
methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9-(1-phenylethyl)carbazole-4-carboxylate
CID 90375858
2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17033010
5-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrolo[1,2-a]quinoline
CID 53387757
3-ethyl-4-[1-(4-methoxyphenyl)benzimidazol-2-yl]-5-methyl-1,2-oxazole
CID 57424033
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)indole-1-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)indole-1-carboxamide (CID 67109704) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)indole-1-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)indole-1-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)indole-1-carboxamide is CCNC(=O)n1c(-c2c(C)noc2C)c(-c2ccc(OC)cc2)c2ccccc21.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)indole-1-carboxamide?
The InChIKey is FVHISKJMPSFNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-5-24-23(27)26-19-9-7-6-8-18(19)21(16-10-12-17(28-4)13-11-16)22(26)20-14(2)25-29-15(20)3/h6-13H,5H2,1-4H3,(H,24,27).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)indole-1-carboxamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)indole-1-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)indole-1-carboxamide is sourced from PubChem (CID 67109704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).