2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide

C31H30N2O3 — CID 43027748

IUPAC2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)NCC2CC3c4ccccc4C2c2ccccc23)cc1
InChIInChI=1S/C31H30N2O3/c1-19-29(20(2)36-33-19)18-35-23-13-11-21(12-14-23)15-30(34)32-17-22-16-28-24-7-3-5-9-26(24)31(22)27-10-6-4-8-25(27)28/h3-14,22,28,31H,15-18H2,1-2H3,(H,32,34)
InChIKeyGNRKCRVWHDEFKH-UHFFFAOYSA-N
MW478.59 g/mol
LogP5.83
Rot. Bonds7

About 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide (PubChem CID 43027748) has the molecular formula C31H30N2O3 and a molecular weight of 478.59 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
PubChem CID43027748
Molecular FormulaC31H30N2O3
Molecular Weight478.59 g/mol
Exact Mass478.23
IUPAC Name2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
SMILESCc1noc(C)c1COc1ccc(CC(=O)NCC2CC3c4ccccc4C2c2ccccc23)cc1
InChIInChI=1S/C31H30N2O3/c1-19-29(20(2)36-33-19)18-35-23-13-11-21(12-14-23)15-30(34)32-17-22-16-28-24-7-3-5-9-26(24)31(22)27-10-6-4-8-25(27)28/h3-14,22,28,31H,15-18H2,1-2H3,(H,32,34)
InChIKeyGNRKCRVWHDEFKH-UHFFFAOYSA-N
XLogP5.83
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide 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

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119260422
N-cyclopentyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 9265218
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-prop-2-enylacetamide
CID 26641405
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methoxyacetamide
CID 30796971
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-pentylacetamide
CID 26532652
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
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 4785185
N-[2-(cycloheptylamino)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide;hydrochloride
CID 119261110
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(4-phenylmethoxyphenyl)acetamide
CID 27650114
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7771148
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124834964
N-[2-(aminomethyl)cyclopentyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 119261004

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide?
The IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide (CID 43027748) is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide is Cc1noc(C)c1COc1ccc(CC(=O)NCC2CC3c4ccccc4C2c2ccccc23)cc1.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide?
The InChIKey is GNRKCRVWHDEFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O3/c1-19-29(20(2)36-33-19)18-35-23-13-11-21(12-14-23)15-30(34)32-17-22-16-28-24-7-3-5-9-26(24)31(22)27-10-6-4-8-25(27)28/h3-14,22,28,31H,15-18H2,1-2H3,(H,32,34).
What are the key properties of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide?
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide has a molecular weight of 478.59 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide is sourced from PubChem (CID 43027748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).