[7-(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

C26H31N3O3 — CID 163539425

IUPAC[7-(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCCn1c2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2c2ccc(C3C(C)=NOC3C)cc21
InChIInChI=1S/C26H31N3O3/c1-6-29-23-10-8-20(26(30)28-13-15(2)31-16(3)14-28)11-22(23)21-9-7-19(12-24(21)29)25-17(4)27-32-18(25)5/h7-12,15-16,18,25H,6,13-14H2,1-5H3/t15-,16+,18?,25?
InChIKeyDZVLVSNDDUCKJD-GCRMNNPKSA-N
MW433.55 g/mol
LogP4.94
Rot. Bonds3

About [7-(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

[7-(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 163539425) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is [7-(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[7-(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID163539425
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name[7-(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCCn1c2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2c2ccc(C3C(C)=NOC3C)cc21
InChIInChI=1S/C26H31N3O3/c1-6-29-23-10-8-20(26(30)28-13-15(2)31-16(3)14-28)11-22(23)21-9-7-19(12-24(21)29)25-17(4)27-32-18(25)5/h7-12,15-16,18,25H,6,13-14H2,1-5H3/t15-,16+,18?,25?
InChIKeyDZVLVSNDDUCKJD-GCRMNNPKSA-N
XLogP4.94
TPSA56.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [7-(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 163539425) is [7-(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [7-(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [7-(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is CCn1c2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2c2ccc(C3C(C)=NOC3C)cc21.
What is the InChIKey of [7-(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is DZVLVSNDDUCKJD-GCRMNNPKSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-6-29-23-10-8-20(26(30)28-13-15(2)31-16(3)14-28)11-22(23)21-9-7-19(12-24(21)29)25-17(4)27-32-18(25)5/h7-12,15-16,18,25H,6,13-14H2,1-5H3/t15-,16+,18?,25?.
What are the key properties of [7-(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
[7-(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 433.55 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3,5-dimethyl-4,5-dihydro-1,2-oxazol-4-yl)-9-ethylcarbazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 163539425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).