2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-(oxan-4-ylmethyl)carbazole-4-carboxamide

C27H31N3O4 — CID 90375863

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-(oxan-4-ylmethyl)carbazole-4-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c3ccc(C(C)(C)O)cc3n(CC3CCOCC3)c2c1
InChIInChI=1S/C27H31N3O4/c1-15-24(16(2)34-29-15)18-11-21(26(28)31)25-20-6-5-19(27(3,4)32)13-22(20)30(23(25)12-18)14-17-7-9-33-10-8-17/h5-6,11-13,17,32H,7-10,14H2,1-4H3,(H2,28,31)
InChIKeyYPTAOBVCBZIKKT-UHFFFAOYSA-N
MW461.56 g/mol
LogP4.82
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-(oxan-4-ylmethyl)carbazole-4-carboxamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-(oxan-4-ylmethyl)carbazole-4-carboxamide (PubChem CID 90375863) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-(oxan-4-ylmethyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-(oxan-4-ylmethyl)carbazole-4-carboxamide
PubChem CID90375863
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-(oxan-4-ylmethyl)carbazole-4-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c3ccc(C(C)(C)O)cc3n(CC3CCOCC3)c2c1
InChIInChI=1S/C27H31N3O4/c1-15-24(16(2)34-29-15)18-11-21(26(28)31)25-20-6-5-19(27(3,4)32)13-22(20)30(23(25)12-18)14-17-7-9-33-10-8-17/h5-6,11-13,17,32H,7-10,14H2,1-4H3,(H2,28,31)
InChIKeyYPTAOBVCBZIKKT-UHFFFAOYSA-N
XLogP4.82
TPSA103.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-(oxan-4-ylmethyl)carbazole-4-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-(oxan-4-ylmethyl)carbazole-4-carboxamide (CID 90375863) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-(oxan-4-ylmethyl)carbazole-4-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-(oxan-4-ylmethyl)carbazole-4-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-(oxan-4-ylmethyl)carbazole-4-carboxamide is Cc1noc(C)c1-c1cc(C(N)=O)c2c3ccc(C(C)(C)O)cc3n(CC3CCOCC3)c2c1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-(oxan-4-ylmethyl)carbazole-4-carboxamide?
The InChIKey is YPTAOBVCBZIKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-15-24(16(2)34-29-15)18-11-21(26(28)31)25-20-6-5-19(27(3,4)32)13-22(20)30(23(25)12-18)14-17-7-9-33-10-8-17/h5-6,11-13,17,32H,7-10,14H2,1-4H3,(H2,28,31).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-(oxan-4-ylmethyl)carbazole-4-carboxamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-(oxan-4-ylmethyl)carbazole-4-carboxamide has a molecular weight of 461.56 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-(oxan-4-ylmethyl)carbazole-4-carboxamide is sourced from PubChem (CID 90375863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).