1-[4-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]cyclohexyl]oxypropan-2-amine

C20H28N2O3 — CID 67449660

IUPAC1-[4-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]cyclohexyl]oxypropan-2-amine
SMILESCC(N)COC1CCC(c2nc3ccc(OCC4CC4)cc3o2)CC1
InChIInChI=1S/C20H28N2O3/c1-13(21)11-23-16-6-4-15(5-7-16)20-22-18-9-8-17(10-19(18)25-20)24-12-14-2-3-14/h8-10,13-16H,2-7,11-12,21H2,1H3
InChIKeyDJCGUFPLKJKQFF-UHFFFAOYSA-N
MW344.45 g/mol
LogP4.01
Rot. Bonds7

About 1-[4-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]cyclohexyl]oxypropan-2-amine

1-[4-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]cyclohexyl]oxypropan-2-amine (PubChem CID 67449660) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[4-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]cyclohexyl]oxypropan-2-amine.

Molecular Properties

Compound Name1-[4-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]cyclohexyl]oxypropan-2-amine
PubChem CID67449660
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-[4-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]cyclohexyl]oxypropan-2-amine
SMILESCC(N)COC1CCC(c2nc3ccc(OCC4CC4)cc3o2)CC1
InChIInChI=1S/C20H28N2O3/c1-13(21)11-23-16-6-4-15(5-7-16)20-22-18-9-8-17(10-19(18)25-20)24-12-14-2-3-14/h8-10,13-16H,2-7,11-12,21H2,1H3
InChIKeyDJCGUFPLKJKQFF-UHFFFAOYSA-N
XLogP4.01
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]cyclohexyl]oxypropan-2-amine?
The IUPAC name of 1-[4-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]cyclohexyl]oxypropan-2-amine (CID 67449660) is 1-[4-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]cyclohexyl]oxypropan-2-amine.
What is the SMILES notation for 1-[4-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]cyclohexyl]oxypropan-2-amine?
The canonical SMILES for 1-[4-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]cyclohexyl]oxypropan-2-amine is CC(N)COC1CCC(c2nc3ccc(OCC4CC4)cc3o2)CC1.
What is the InChIKey of 1-[4-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]cyclohexyl]oxypropan-2-amine?
The InChIKey is DJCGUFPLKJKQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-13(21)11-23-16-6-4-15(5-7-16)20-22-18-9-8-17(10-19(18)25-20)24-12-14-2-3-14/h8-10,13-16H,2-7,11-12,21H2,1H3.
What are the key properties of 1-[4-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]cyclohexyl]oxypropan-2-amine?
1-[4-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]cyclohexyl]oxypropan-2-amine has a molecular weight of 344.45 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(cyclopropylmethoxy)-1,3-benzoxazol-2-yl]cyclohexyl]oxypropan-2-amine is sourced from PubChem (CID 67449660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).