3-methyl-5-propan-2-yl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,2-oxazole-4-carboxamide

C25H26N2O2 — CID 24655881

IUPAC3-methyl-5-propan-2-yl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C25H26N2O2/c1-14(2)24-22(15(3)27-29-24)25(28)26-13-16-12-21-17-8-4-6-10-19(17)23(16)20-11-7-5-9-18(20)21/h4-11,14,16,21,23H,12-13H2,1-3H3,(H,26,28)
InChIKeyHADWUJLZKXRFMT-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.13
Rot. Bonds4

About 3-methyl-5-propan-2-yl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,2-oxazole-4-carboxamide

3-methyl-5-propan-2-yl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 24655881) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID24655881
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name3-methyl-5-propan-2-yl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C25H26N2O2/c1-14(2)24-22(15(3)27-29-24)25(28)26-13-16-12-21-17-8-4-6-10-19(17)23(16)20-11-7-5-9-18(20)21/h4-11,14,16,21,23H,12-13H2,1-3H3,(H,26,28)
InChIKeyHADWUJLZKXRFMT-UHFFFAOYSA-N
XLogP5.13
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-5-propan-2-yl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,2-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-5-propan-2-yl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,2-oxazole-4-carboxamide (CID 24655881) is 3-methyl-5-propan-2-yl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-propan-2-yl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-propan-2-yl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)NCC1CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 3-methyl-5-propan-2-yl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is HADWUJLZKXRFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-14(2)24-22(15(3)27-29-24)25(28)26-13-16-12-21-17-8-4-6-10-19(17)23(16)20-11-7-5-9-18(20)21/h4-11,14,16,21,23H,12-13H2,1-3H3,(H,26,28).
What are the key properties of 3-methyl-5-propan-2-yl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,2-oxazole-4-carboxamide?
3-methyl-5-propan-2-yl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24655881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).