1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)urea

C28H27N3O3 — CID 166185041

IUPAC1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)urea
SMILESO=C(NCc1cccc(N2CCOC2=O)c1)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C28H27N3O3/c32-27(29-16-18-6-5-7-20(14-18)31-12-13-34-28(31)33)30-17-19-15-25-21-8-1-3-10-23(21)26(19)24-11-4-2-9-22(24)25/h1-11,14,19,25-26H,12-13,15-17H2,(H2,29,30,32)
InChIKeySGCLLBGOTZIWLT-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.74
Rot. Bonds5

About 1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)urea

1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)urea (PubChem CID 166185041) has the molecular formula C28H27N3O3 and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)urea.

Molecular Properties

Compound Name1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)urea
PubChem CID166185041
Molecular FormulaC28H27N3O3
Molecular Weight453.54 g/mol
Exact Mass453.21
IUPAC Name1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)urea
SMILESO=C(NCc1cccc(N2CCOC2=O)c1)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C28H27N3O3/c32-27(29-16-18-6-5-7-20(14-18)31-12-13-34-28(31)33)30-17-19-15-25-21-8-1-3-10-23(21)26(19)24-11-4-2-9-22(24)25/h1-11,14,19,25-26H,12-13,15-17H2,(H2,29,30,32)
InChIKeySGCLLBGOTZIWLT-UHFFFAOYSA-N
XLogP4.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-fluorophenyl)methyl]-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea
CID 71940501
1-(2-methylpropyl)-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]urea
CID 60562162
N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55814453
3-(2-oxoimidazolidin-1-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 55699507
3-(2-methoxyphenyl)-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]propanamide
CID 55932832
5-benzyl-1-methyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 167833868
3-[3-(ethylaminomethyl)phenyl]-1,3-oxazinan-2-one
CID 61349238
5-bromo-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide
CID 55814674
4-cyclopentyloxy-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzamide
CID 55934364
N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55815215
2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde
CID 57444342
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-phenylacetamide
CID 110874037

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)urea?
The IUPAC name of 1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)urea (CID 166185041) is 1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)urea.
What is the SMILES notation for 1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)urea?
The canonical SMILES for 1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)urea is O=C(NCc1cccc(N2CCOC2=O)c1)NCC1CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)urea?
The InChIKey is SGCLLBGOTZIWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3/c32-27(29-16-18-6-5-7-20(14-18)31-12-13-34-28(31)33)30-17-19-15-25-21-8-1-3-10-23(21)26(19)24-11-4-2-9-22(24)25/h1-11,14,19,25-26H,12-13,15-17H2,(H2,29,30,32).
What are the key properties of 1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)urea?
1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)urea has a molecular weight of 453.54 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)urea is sourced from PubChem (CID 166185041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).