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

C22H21N3O3 — CID 51347934

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-hydroxyphenyl)indole-1-carboxamide
SMILESCCNC(=O)n1c(-c2c(C)noc2C)c(-c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C22H21N3O3/c1-4-23-22(27)25-18-8-6-5-7-17(18)20(15-9-11-16(26)12-10-15)21(25)19-13(2)24-28-14(19)3/h5-12,26H,4H2,1-3H3,(H,23,27)
InChIKeyURMIFCHHZXBFDP-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.86
Rot. Bonds3

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-hydroxyphenyl)indole-1-carboxamide (PubChem CID 51347934) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-hydroxyphenyl)indole-1-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-hydroxyphenyl)indole-1-carboxamide
PubChem CID51347934
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-hydroxyphenyl)indole-1-carboxamide
SMILESCCNC(=O)n1c(-c2c(C)noc2C)c(-c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C22H21N3O3/c1-4-23-22(27)25-18-8-6-5-7-17(18)20(15-9-11-16(26)12-10-15)21(25)19-13(2)24-28-14(19)3/h5-12,26H,4H2,1-3H3,(H,23,27)
InChIKeyURMIFCHHZXBFDP-UHFFFAOYSA-N
XLogP4.86
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-methoxyphenyl)indole-1-carboxamide
CID 67109704
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-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-nitrosoethyl)indol-1-yl]phenol
CID 123984363
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl]-3-hydroxythiourea
CID 118071948
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(Z)-N-hydroxy-C-(trifluoromethyl)carbonimidoyl]indol-1-yl]phenol
CID 58392048
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[N-hydroxy-C-(trifluoromethyl)carbonimidoyl]indol-1-yl]phenol
CID 76774516
4-(1,2-dimethylindol-3-yl)phenol
CID 82039937
[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl] N'-hydroxycarbamimidothioate
CID 87196301
2-(2,6-dimethylphenyl)-N'-hydroxy-3-(4-hydroxyphenyl)indole-1-carboximidamide
CID 51347938
2-amino-N-ethylbenzimidazole-1-carboxamide
CID 12526522

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-hydroxyphenyl)indole-1-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-hydroxyphenyl)indole-1-carboxamide (CID 51347934) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-hydroxyphenyl)indole-1-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-hydroxyphenyl)indole-1-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-hydroxyphenyl)indole-1-carboxamide is CCNC(=O)n1c(-c2c(C)noc2C)c(-c2ccc(O)cc2)c2ccccc21.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-hydroxyphenyl)indole-1-carboxamide?
The InChIKey is URMIFCHHZXBFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-4-23-22(27)25-18-8-6-5-7-17(18)20(15-9-11-16(26)12-10-15)21(25)19-13(2)24-28-14(19)3/h5-12,26H,4H2,1-3H3,(H,23,27).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-hydroxyphenyl)indole-1-carboxamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-hydroxyphenyl)indole-1-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 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-hydroxyphenyl)indole-1-carboxamide is sourced from PubChem (CID 51347934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).