4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-nitrosoethyl)indol-1-yl]phenol

C21H19N3O3 — CID 123984363

IUPAC4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-nitrosoethyl)indol-1-yl]phenol
SMILESCc1noc(C)c1-c1c(C(C)N=O)c2ccccc2n1-c1ccc(O)cc1
InChIInChI=1S/C21H19N3O3/c1-12(22-26)20-17-6-4-5-7-18(17)24(15-8-10-16(25)11-9-15)21(20)19-13(2)23-27-14(19)3/h4-12,25H,1-3H3
InChIKeyODGOYELDVHMXDE-UHFFFAOYSA-N
MW361.40 g/mol
LogP5.44
Rot. Bonds4

About 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-nitrosoethyl)indol-1-yl]phenol

4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-nitrosoethyl)indol-1-yl]phenol (PubChem CID 123984363) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-nitrosoethyl)indol-1-yl]phenol.

Molecular Properties

Compound Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-nitrosoethyl)indol-1-yl]phenol
PubChem CID123984363
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-nitrosoethyl)indol-1-yl]phenol
SMILESCc1noc(C)c1-c1c(C(C)N=O)c2ccccc2n1-c1ccc(O)cc1
InChIInChI=1S/C21H19N3O3/c1-12(22-26)20-17-6-4-5-7-18(17)24(15-8-10-16(25)11-9-15)21(20)19-13(2)23-27-14(19)3/h4-12,25H,1-3H3
InChIKeyODGOYELDVHMXDE-UHFFFAOYSA-N
XLogP5.44
TPSA80.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.40
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)indol-3-yl] N'-hydroxycarbamimidothioate
CID 87196301
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)-1-[(E)-hydroxyiminomethyl]indol-3-yl]phenol
CID 87271783
2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-hydroxyphenyl)indole-1-carbaldehyde
CID 67108937
1-(3-chloro-4-hydroxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)indole-3-carbaldehyde
CID 87365150
4-[4-chloro-2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(hydroxyiminomethyl)indol-1-yl]phenol
CID 140566192
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-3-(4-hydroxyphenyl)indole-1-carboxamide
CID 51347934
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
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
5-chloro-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N'-hydroxy-1-(4-hydroxyphenyl)-4-methylpyrrole-3-carboximidamide
CID 123457690

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-nitrosoethyl)indol-1-yl]phenol?
The IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-nitrosoethyl)indol-1-yl]phenol (CID 123984363) is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-nitrosoethyl)indol-1-yl]phenol.
What is the SMILES notation for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-nitrosoethyl)indol-1-yl]phenol?
The canonical SMILES for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-nitrosoethyl)indol-1-yl]phenol is Cc1noc(C)c1-c1c(C(C)N=O)c2ccccc2n1-c1ccc(O)cc1.
What is the InChIKey of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-nitrosoethyl)indol-1-yl]phenol?
The InChIKey is ODGOYELDVHMXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-12(22-26)20-17-6-4-5-7-18(17)24(15-8-10-16(25)11-9-15)21(20)19-13(2)23-27-14(19)3/h4-12,25H,1-3H3.
What are the key properties of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-nitrosoethyl)indol-1-yl]phenol?
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-nitrosoethyl)indol-1-yl]phenol has a molecular weight of 361.40 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(1-nitrosoethyl)indol-1-yl]phenol is sourced from PubChem (CID 123984363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).