N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-(9-ethylcarbazol-3-yl)methanimine

C20H19N3O — CID 78146609

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-1-(9-ethylcarbazol-3-yl)methanimine
SMILESCCn1c2ccccc2c2cc(C=Nc3onc(C)c3C)ccc21
InChIInChI=1S/C20H19N3O/c1-4-23-18-8-6-5-7-16(18)17-11-15(9-10-19(17)23)12-21-20-13(2)14(3)22-24-20/h5-12H,4H2,1-3H3
InChIKeyWEPHTBXAUMLMBQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP5.17
Rot. Bonds3

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-(9-ethylcarbazol-3-yl)methanimine

N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-(9-ethylcarbazol-3-yl)methanimine (PubChem CID 78146609) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-(9-ethylcarbazol-3-yl)methanimine.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-1-(9-ethylcarbazol-3-yl)methanimine
PubChem CID78146609
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-1-(9-ethylcarbazol-3-yl)methanimine
SMILESCCn1c2ccccc2c2cc(C=Nc3onc(C)c3C)ccc21
InChIInChI=1S/C20H19N3O/c1-4-23-18-8-6-5-7-16(18)17-11-15(9-10-19(17)23)12-21-20-13(2)14(3)22-24-20/h5-12H,4H2,1-3H3
InChIKeyWEPHTBXAUMLMBQ-UHFFFAOYSA-N
XLogP5.17
TPSA43.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 781157
4-[(9-ethylcarbazol-3-yl)methylideneamino]-N,N-dimethylaniline
CID 12752582
N-(9-ethylcarbazol-3-yl)-1-(3-methylphenyl)methanimine
CID 12752584
1-(3,4-difluorophenyl)-N-(9-ethylcarbazol-3-yl)methanimine
CID 23989157
9-ethyl-3-[2-[4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]carbazole
CID 71403116
3-(3-bromoprop-1-enyl)-9-ethylcarbazole
CID 79324160
1-(9-ethylcarbazol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 4570449
2-[(9-ethylcarbazol-3-yl)methylideneamino]-3-methylpentan-1-ol
CID 132560861
N-[(9-ethylcarbazol-3-yl)methylideneamino]-N,4-dimethylbenzenesulfonamide
CID 23960642
N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
CID 71554995
N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
CID 78110173
4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide
CID 4508320

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-(9-ethylcarbazol-3-yl)methanimine?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-(9-ethylcarbazol-3-yl)methanimine (CID 78146609) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-(9-ethylcarbazol-3-yl)methanimine.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-(9-ethylcarbazol-3-yl)methanimine?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-(9-ethylcarbazol-3-yl)methanimine is CCn1c2ccccc2c2cc(C=Nc3onc(C)c3C)ccc21.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-(9-ethylcarbazol-3-yl)methanimine?
The InChIKey is WEPHTBXAUMLMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-4-23-18-8-6-5-7-16(18)17-11-15(9-10-19(17)23)12-21-20-13(2)14(3)22-24-20/h5-12H,4H2,1-3H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-(9-ethylcarbazol-3-yl)methanimine?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-(9-ethylcarbazol-3-yl)methanimine has a molecular weight of 317.39 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-1-(9-ethylcarbazol-3-yl)methanimine is sourced from PubChem (CID 78146609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).