1,5-dimethyl-5-phenyl-3-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butyl]imidazolidine-2,4-dione

C26H28F3N3O4 — CID 10391390

IUPAC1,5-dimethyl-5-phenyl-3-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butyl]imidazolidine-2,4-dione
SMILESCCCc1c(OCCCCN2C(=O)N(C)C(C)(c3ccccc3)C2=O)ccc2c(C(F)(F)F)noc12
InChIInChI=1S/C26H28F3N3O4/c1-4-10-18-20(14-13-19-21(18)36-30-22(19)26(27,28)29)35-16-9-8-15-32-23(33)25(2,31(3)24(32)34)17-11-6-5-7-12-17/h5-7,11-14H,4,8-10,15-16H2,1-3H3
InChIKeyCNNROFJKQRGHNE-UHFFFAOYSA-N
MW503.52 g/mol
LogP5.77
Rot. Bonds9

About 1,5-dimethyl-5-phenyl-3-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butyl]imidazolidine-2,4-dione

1,5-dimethyl-5-phenyl-3-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butyl]imidazolidine-2,4-dione (PubChem CID 10391390) has the molecular formula C26H28F3N3O4 and a molecular weight of 503.52 g/mol. Its IUPAC name is 1,5-dimethyl-5-phenyl-3-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1,5-dimethyl-5-phenyl-3-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butyl]imidazolidine-2,4-dione
PubChem CID10391390
Molecular FormulaC26H28F3N3O4
Molecular Weight503.52 g/mol
Exact Mass503.20
IUPAC Name1,5-dimethyl-5-phenyl-3-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butyl]imidazolidine-2,4-dione
SMILESCCCc1c(OCCCCN2C(=O)N(C)C(C)(c3ccccc3)C2=O)ccc2c(C(F)(F)F)noc12
InChIInChI=1S/C26H28F3N3O4/c1-4-10-18-20(14-13-19-21(18)36-30-22(19)26(27,28)29)35-16-9-8-15-32-23(33)25(2,31(3)24(32)34)17-11-6-5-7-12-17/h5-7,11-14H,4,8-10,15-16H2,1-3H3
InChIKeyCNNROFJKQRGHNE-UHFFFAOYSA-N
XLogP5.77
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.52
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

5-methyl-5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione
CID 10412657
5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-1,3-diazinane-2,4-dione
CID 10480056
2-[2-[[5-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]pentanoylamino]methyl]phenyl]acetic acid
CID 142247418
2-[4-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butoxy]indol-1-yl]acetic acid
CID 11214000
1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indole-2-carboxylic acid
CID 11775185
3-[methyl-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]carbamoyl]benzoic acid
CID 10288584
1,1,3-trimethyl-3-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]urea
CID 11234584
methyl 2-[2-oxo-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-3,4-dihydroquinolin-6-yl]acetate
CID 58688788
2-[methyl-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butanoyl]amino]acetic acid
CID 10173007
2-[1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]indol-4-yl]acetaldehyde
CID 89227753
1,3-dimethyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]-3-pyridin-2-ylurea
CID 11775281
4-[[ethyl-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]carbamoyl]amino]benzoic acid
CID 11785202

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-5-phenyl-3-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butyl]imidazolidine-2,4-dione?
The IUPAC name of 1,5-dimethyl-5-phenyl-3-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butyl]imidazolidine-2,4-dione (CID 10391390) is 1,5-dimethyl-5-phenyl-3-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1,5-dimethyl-5-phenyl-3-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butyl]imidazolidine-2,4-dione?
The canonical SMILES for 1,5-dimethyl-5-phenyl-3-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butyl]imidazolidine-2,4-dione is CCCc1c(OCCCCN2C(=O)N(C)C(C)(c3ccccc3)C2=O)ccc2c(C(F)(F)F)noc12.
What is the InChIKey of 1,5-dimethyl-5-phenyl-3-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butyl]imidazolidine-2,4-dione?
The InChIKey is CNNROFJKQRGHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N3O4/c1-4-10-18-20(14-13-19-21(18)36-30-22(19)26(27,28)29)35-16-9-8-15-32-23(33)25(2,31(3)24(32)34)17-11-6-5-7-12-17/h5-7,11-14H,4,8-10,15-16H2,1-3H3.
What are the key properties of 1,5-dimethyl-5-phenyl-3-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butyl]imidazolidine-2,4-dione?
1,5-dimethyl-5-phenyl-3-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butyl]imidazolidine-2,4-dione has a molecular weight of 503.52 g/mol, XLogP of 5.77, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-5-phenyl-3-[4-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]butyl]imidazolidine-2,4-dione is sourced from PubChem (CID 10391390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).