5-(carbazol-9-ylmethyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-1,2-oxazole-3-carboxamide

C26H21N3O4 — CID 158844978

IUPAC5-(carbazol-9-ylmethyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(CO)c1ccc(CNC(=O)c2cc(Cn3c4ccccc4c4ccccc43)on2)cc1
InChIInChI=1S/C26H21N3O4/c30-16-25(31)18-11-9-17(10-12-18)14-27-26(32)22-13-19(33-28-22)15-29-23-7-3-1-5-20(23)21-6-2-4-8-24(21)29/h1-13,30H,14-16H2,(H,27,32)
InChIKeyIYSCJIIILGUPAZ-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.94
Rot. Bonds7

About 5-(carbazol-9-ylmethyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-1,2-oxazole-3-carboxamide

5-(carbazol-9-ylmethyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 158844978) has the molecular formula C26H21N3O4 and a molecular weight of 439.47 g/mol. Its IUPAC name is 5-(carbazol-9-ylmethyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(carbazol-9-ylmethyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID158844978
Molecular FormulaC26H21N3O4
Molecular Weight439.47 g/mol
Exact Mass439.15
IUPAC Name5-(carbazol-9-ylmethyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(CO)c1ccc(CNC(=O)c2cc(Cn3c4ccccc4c4ccccc43)on2)cc1
InChIInChI=1S/C26H21N3O4/c30-16-25(31)18-11-9-17(10-12-18)14-27-26(32)22-13-19(33-28-22)15-29-23-7-3-1-5-20(23)21-6-2-4-8-24(21)29/h1-13,30H,14-16H2,(H,27,32)
InChIKeyIYSCJIIILGUPAZ-UHFFFAOYSA-N
XLogP3.94
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-(2-hydroxyacetyl)phenyl]methyl]phenanthridin-6-one
CID 58388742
5-[(2-methylbenzimidazol-1-yl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 42595216
5-[(4-benzamidophenoxy)methyl]-N-benzyl-1,2-oxazole-3-carboxamide
CID 53010732
5-(benzimidazol-1-ylmethyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 42532895
5-(4-methylphenyl)-N-[(4-propanoylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 158316284
N-[[4-(4-hydroxyphenyl)phenyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 75374644
5-[[benzoyl(butan-2-yl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23963752
9-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)pyrido[3,4-b]indole-3-carboxamide;hydrochloride
CID 46704091
5-[[1,3-benzodioxole-5-carbonyl(2-phenylethyl)amino]methyl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23885444
5-[(2,6-difluorophenoxy)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 24819346
5-(1,3-benzoxazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 46949508
5-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 51333269

Frequently Asked Questions

What is the IUPAC name of 5-(carbazol-9-ylmethyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(carbazol-9-ylmethyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-1,2-oxazole-3-carboxamide (CID 158844978) is 5-(carbazol-9-ylmethyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(carbazol-9-ylmethyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(carbazol-9-ylmethyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-1,2-oxazole-3-carboxamide is O=C(CO)c1ccc(CNC(=O)c2cc(Cn3c4ccccc4c4ccccc43)on2)cc1.
What is the InChIKey of 5-(carbazol-9-ylmethyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is IYSCJIIILGUPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O4/c30-16-25(31)18-11-9-17(10-12-18)14-27-26(32)22-13-19(33-28-22)15-29-23-7-3-1-5-20(23)21-6-2-4-8-24(21)29/h1-13,30H,14-16H2,(H,27,32).
What are the key properties of 5-(carbazol-9-ylmethyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-1,2-oxazole-3-carboxamide?
5-(carbazol-9-ylmethyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbazol-9-ylmethyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 158844978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).