6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-propan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C24H31N5O3 — CID 155680827

IUPAC6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-propan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCC(C)NC(=O)c1ccc2[nH]c3c(c2c1)CC(NC(=O)Nc1cc(C(C)(C)C)on1)CC3
InChIInChI=1S/C24H31N5O3/c1-13(2)25-22(30)14-6-8-18-16(10-14)17-11-15(7-9-19(17)27-18)26-23(31)28-21-12-20(32-29-21)24(3,4)5/h6,8,10,12-13,15,27H,7,9,11H2,1-5H3,(H,25,30)(H2,26,28,29,31)
InChIKeyQFXWLVIHLVJTFL-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.27
Rot. Bonds4

About 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-propan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-propan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 155680827) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-propan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound Name6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-propan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID155680827
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-propan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCC(C)NC(=O)c1ccc2[nH]c3c(c2c1)CC(NC(=O)Nc1cc(C(C)(C)C)on1)CC3
InChIInChI=1S/C24H31N5O3/c1-13(2)25-22(30)14-6-8-18-16(10-14)17-11-15(7-9-19(17)27-18)26-23(31)28-21-12-20(32-29-21)24(3,4)5/h6,8,10,12-13,15,27H,7,9,11H2,1-5H3,(H,25,30)(H2,26,28,29,31)
InChIKeyQFXWLVIHLVJTFL-UHFFFAOYSA-N
XLogP4.27
TPSA112.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-propan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-propan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 155680827) is 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-propan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-propan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-propan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CC(C)NC(=O)c1ccc2[nH]c3c(c2c1)CC(NC(=O)Nc1cc(C(C)(C)C)on1)CC3.
What is the InChIKey of 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-propan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is QFXWLVIHLVJTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-13(2)25-22(30)14-6-8-18-16(10-14)17-11-15(7-9-19(17)27-18)26-23(31)28-21-12-20(32-29-21)24(3,4)5/h6,8,10,12-13,15,27H,7,9,11H2,1-5H3,(H,25,30)(H2,26,28,29,31).
What are the key properties of 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-propan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-propan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 4.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-propan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 155680827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).