4-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-2-cyclopropylbutan-1-amine

C20H22N2O3 — CID 91530142

IUPAC4-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-2-cyclopropylbutan-1-amine
SMILESNCC(CCOc1ccc(Oc2nc3ccccc3o2)cc1)C1CC1
InChIInChI=1S/C20H22N2O3/c21-13-15(14-5-6-14)11-12-23-16-7-9-17(10-8-16)24-20-22-18-3-1-2-4-19(18)25-20/h1-4,7-10,14-15H,5-6,11-13,21H2
InChIKeyGACZPFWCISQESW-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.37
Rot. Bonds8

About 4-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-2-cyclopropylbutan-1-amine

4-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-2-cyclopropylbutan-1-amine (PubChem CID 91530142) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-2-cyclopropylbutan-1-amine.

Molecular Properties

Compound Name4-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-2-cyclopropylbutan-1-amine
PubChem CID91530142
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-2-cyclopropylbutan-1-amine
SMILESNCC(CCOc1ccc(Oc2nc3ccccc3o2)cc1)C1CC1
InChIInChI=1S/C20H22N2O3/c21-13-15(14-5-6-14)11-12-23-16-7-9-17(10-8-16)24-20-22-18-3-1-2-4-19(18)25-20/h1-4,7-10,14-15H,5-6,11-13,21H2
InChIKeyGACZPFWCISQESW-UHFFFAOYSA-N
XLogP4.37
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
CID 155662899
2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-N-(cyclohexylmethyl)ethanamine
CID 67302482
1-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperidine-4-carboxamide
CID 91253088
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole
CID 68999250
N-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]-N-(3-pyrrol-1-ylpropyl)cyclopropanamine
CID 91049674
3-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl-cyclobutylamino]propanoic acid
CID 91530631
1-[1-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]pyrrolidine-2-thione
CID 91454785
4-[4-(1,3-benzoxazol-2-yloxy)phenyl]butan-2-ol
CID 154645805
4-[4-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperazine-1-carbonyl]benzoic acid
CID 90958847
ethyl 6-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl-cyclopropylamino]hexanoate
CID 90861130
N-[1-[4-(1,3-benzoxazol-2-yloxy)phenyl]pentan-3-yl]-N-methylcyclopropanamine
CID 69274191
2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid
CID 61395477

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-2-cyclopropylbutan-1-amine?
The IUPAC name of 4-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-2-cyclopropylbutan-1-amine (CID 91530142) is 4-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-2-cyclopropylbutan-1-amine.
What is the SMILES notation for 4-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-2-cyclopropylbutan-1-amine?
The canonical SMILES for 4-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-2-cyclopropylbutan-1-amine is NCC(CCOc1ccc(Oc2nc3ccccc3o2)cc1)C1CC1.
What is the InChIKey of 4-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-2-cyclopropylbutan-1-amine?
The InChIKey is GACZPFWCISQESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c21-13-15(14-5-6-14)11-12-23-16-7-9-17(10-8-16)24-20-22-18-3-1-2-4-19(18)25-20/h1-4,7-10,14-15H,5-6,11-13,21H2.
What are the key properties of 4-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-2-cyclopropylbutan-1-amine?
4-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-2-cyclopropylbutan-1-amine has a molecular weight of 338.41 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-2-cyclopropylbutan-1-amine is sourced from PubChem (CID 91530142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).