1-[ethyl(phenoxy)amino]-3-[(3-propyl-1,2-benzoxazol-7-yl)oxy]propan-2-ol

C21H26N2O4 — CID 54343531

IUPAC1-[ethyl(phenoxy)amino]-3-[(3-propyl-1,2-benzoxazol-7-yl)oxy]propan-2-ol
SMILESCCCc1noc2c(OCC(O)CN(CC)Oc3ccccc3)cccc12
InChIInChI=1S/C21H26N2O4/c1-3-9-19-18-12-8-13-20(21(18)26-22-19)25-15-16(24)14-23(4-2)27-17-10-6-5-7-11-17/h5-8,10-13,16,24H,3-4,9,14-15H2,1-2H3
InChIKeyUAQLXWJXXOOOSH-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.84
Rot. Bonds10

About 1-[ethyl(phenoxy)amino]-3-[(3-propyl-1,2-benzoxazol-7-yl)oxy]propan-2-ol

1-[ethyl(phenoxy)amino]-3-[(3-propyl-1,2-benzoxazol-7-yl)oxy]propan-2-ol (PubChem CID 54343531) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[ethyl(phenoxy)amino]-3-[(3-propyl-1,2-benzoxazol-7-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[ethyl(phenoxy)amino]-3-[(3-propyl-1,2-benzoxazol-7-yl)oxy]propan-2-ol
PubChem CID54343531
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name1-[ethyl(phenoxy)amino]-3-[(3-propyl-1,2-benzoxazol-7-yl)oxy]propan-2-ol
SMILESCCCc1noc2c(OCC(O)CN(CC)Oc3ccccc3)cccc12
InChIInChI=1S/C21H26N2O4/c1-3-9-19-18-12-8-13-20(21(18)26-22-19)25-15-16(24)14-23(4-2)27-17-10-6-5-7-11-17/h5-8,10-13,16,24H,3-4,9,14-15H2,1-2H3
InChIKeyUAQLXWJXXOOOSH-UHFFFAOYSA-N
XLogP3.84
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[3-[ethyl(phenoxy)amino]-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 54396009
1-[(3-butyl-1,2-benzoxazol-4-yl)oxy]-3-(2-phenoxyethylamino)propan-2-ol
CID 152765974
[5-[3-[ethyl-(2-methylphenoxy)amino]-2-hydroxypropoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate
CID 88737005
1-naphthalen-1-yloxy-3-(2-propylimidazol-1-yl)propan-2-ol
CID 109411288
(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol
CID 7185787
butyl-(2-hydroxy-3-phenoxypropyl)carbamic acid
CID 173251132
(2R)-3-(2-propylphenoxy)propane-1,2-diol
CID 139198404
1-[1,1,1,2,3,3,3-heptadeuteriopropan-2-yl-(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 162641225
CID 158871625
CID 158871625
3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid
CID 84674857
1-naphthalen-1-yloxyundecan-2-ol
CID 2793899
1-[2-hydroxyethyl(2-phenylethyl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 86942993

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(phenoxy)amino]-3-[(3-propyl-1,2-benzoxazol-7-yl)oxy]propan-2-ol?
The IUPAC name of 1-[ethyl(phenoxy)amino]-3-[(3-propyl-1,2-benzoxazol-7-yl)oxy]propan-2-ol (CID 54343531) is 1-[ethyl(phenoxy)amino]-3-[(3-propyl-1,2-benzoxazol-7-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[ethyl(phenoxy)amino]-3-[(3-propyl-1,2-benzoxazol-7-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[ethyl(phenoxy)amino]-3-[(3-propyl-1,2-benzoxazol-7-yl)oxy]propan-2-ol is CCCc1noc2c(OCC(O)CN(CC)Oc3ccccc3)cccc12.
What is the InChIKey of 1-[ethyl(phenoxy)amino]-3-[(3-propyl-1,2-benzoxazol-7-yl)oxy]propan-2-ol?
The InChIKey is UAQLXWJXXOOOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-3-9-19-18-12-8-13-20(21(18)26-22-19)25-15-16(24)14-23(4-2)27-17-10-6-5-7-11-17/h5-8,10-13,16,24H,3-4,9,14-15H2,1-2H3.
What are the key properties of 1-[ethyl(phenoxy)amino]-3-[(3-propyl-1,2-benzoxazol-7-yl)oxy]propan-2-ol?
1-[ethyl(phenoxy)amino]-3-[(3-propyl-1,2-benzoxazol-7-yl)oxy]propan-2-ol has a molecular weight of 370.45 g/mol, XLogP of 3.84, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(phenoxy)amino]-3-[(3-propyl-1,2-benzoxazol-7-yl)oxy]propan-2-ol is sourced from PubChem (CID 54343531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).