N,N-diethyl-4-[2-(9-ethylcarbazol-3-yl)-1,3-oxazol-5-yl]aniline

C27H27N3O — CID 139803264

IUPACN,N-diethyl-4-[2-(9-ethylcarbazol-3-yl)-1,3-oxazol-5-yl]aniline
SMILESCCN(CC)c1ccc(-c2cnc(-c3ccc4c(c3)c3ccccc3n4CC)o2)cc1
InChIInChI=1S/C27H27N3O/c1-4-29(5-2)21-14-11-19(12-15-21)26-18-28-27(31-26)20-13-16-25-23(17-20)22-9-7-8-10-24(22)30(25)6-3/h7-18H,4-6H2,1-3H3
InChIKeyWINUQVFDBVVNOG-UHFFFAOYSA-N
MW409.53 g/mol
LogP6.98
Rot. Bonds6

About N,N-diethyl-4-[2-(9-ethylcarbazol-3-yl)-1,3-oxazol-5-yl]aniline

N,N-diethyl-4-[2-(9-ethylcarbazol-3-yl)-1,3-oxazol-5-yl]aniline (PubChem CID 139803264) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is N,N-diethyl-4-[2-(9-ethylcarbazol-3-yl)-1,3-oxazol-5-yl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[2-(9-ethylcarbazol-3-yl)-1,3-oxazol-5-yl]aniline
PubChem CID139803264
Molecular FormulaC27H27N3O
Molecular Weight409.53 g/mol
Exact Mass409.22
IUPAC NameN,N-diethyl-4-[2-(9-ethylcarbazol-3-yl)-1,3-oxazol-5-yl]aniline
SMILESCCN(CC)c1ccc(-c2cnc(-c3ccc4c(c3)c3ccccc3n4CC)o2)cc1
InChIInChI=1S/C27H27N3O/c1-4-29(5-2)21-14-11-19(12-15-21)26-18-28-27(31-26)20-13-16-25-23(17-20)22-9-7-8-10-24(22)30(25)6-3/h7-18H,4-6H2,1-3H3
InChIKeyWINUQVFDBVVNOG-UHFFFAOYSA-N
XLogP6.98
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-4-[2-(9-ethylcarbazol-3-yl)-1,3-oxazol-5-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(9-ethylcarbazol-3-yl)-3-pyridinyl]-trimethylsilane
CID 140719536
4-(9-ethylcarbazol-3-yl)-1-methylpyrazol-5-amine
CID 117469258
9-ethyl-2-[7-(9-ethylcarbazol-2-yl)triphenylen-2-yl]carbazole
CID 141303114
9-ethyl-3-(1H-imidazo[4,5-b]pyridin-2-yl)carbazole
CID 10041217
N,N-diethyl-3-[2-(2-phenylphenyl)-1,3-oxazol-5-yl]aniline
CID 10270397
4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline
CID 71339197
9-(9-ethylcarbazol-3-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium
CID 59358758
9-ethyl-3-(3-pyridin-2-ylphenyl)carbazole
CID 58435161
9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine)
CID 159037190
2,3,5,6-tetrakis(9-ethylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 118404976
(9-ethylcarbazol-3-yl)-trimethylstannane
CID 71421811
N,N,7,9-tetraethylcarbazol-3-amine
CID 158762574

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-(9-ethylcarbazol-3-yl)-1,3-oxazol-5-yl]aniline?
The IUPAC name of N,N-diethyl-4-[2-(9-ethylcarbazol-3-yl)-1,3-oxazol-5-yl]aniline (CID 139803264) is N,N-diethyl-4-[2-(9-ethylcarbazol-3-yl)-1,3-oxazol-5-yl]aniline.
What is the SMILES notation for N,N-diethyl-4-[2-(9-ethylcarbazol-3-yl)-1,3-oxazol-5-yl]aniline?
The canonical SMILES for N,N-diethyl-4-[2-(9-ethylcarbazol-3-yl)-1,3-oxazol-5-yl]aniline is CCN(CC)c1ccc(-c2cnc(-c3ccc4c(c3)c3ccccc3n4CC)o2)cc1.
What is the InChIKey of N,N-diethyl-4-[2-(9-ethylcarbazol-3-yl)-1,3-oxazol-5-yl]aniline?
The InChIKey is WINUQVFDBVVNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O/c1-4-29(5-2)21-14-11-19(12-15-21)26-18-28-27(31-26)20-13-16-25-23(17-20)22-9-7-8-10-24(22)30(25)6-3/h7-18H,4-6H2,1-3H3.
What are the key properties of N,N-diethyl-4-[2-(9-ethylcarbazol-3-yl)-1,3-oxazol-5-yl]aniline?
N,N-diethyl-4-[2-(9-ethylcarbazol-3-yl)-1,3-oxazol-5-yl]aniline has a molecular weight of 409.53 g/mol, XLogP of 6.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-(9-ethylcarbazol-3-yl)-1,3-oxazol-5-yl]aniline is sourced from PubChem (CID 139803264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).