1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine

C14H18N2O2 — CID 82622741

IUPAC1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine
SMILESCOc1ccc2oc(C3(N)CCCCC3)nc2c1
InChIInChI=1S/C14H18N2O2/c1-17-10-5-6-12-11(9-10)16-13(18-12)14(15)7-3-2-4-8-14/h5-6,9H,2-4,7-8,15H2,1H3
InChIKeyIWOZDGKTVNVIIO-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.95
Rot. Bonds2

About 1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine

1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine (PubChem CID 82622741) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine
PubChem CID82622741
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine
SMILESCOc1ccc2oc(C3(N)CCCCC3)nc2c1
InChIInChI=1S/C14H18N2O2/c1-17-10-5-6-12-11(9-10)16-13(18-12)14(15)7-3-2-4-8-14/h5-6,9H,2-4,7-8,15H2,1H3
InChIKeyIWOZDGKTVNVIIO-UHFFFAOYSA-N
XLogP2.95
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine (CID 82622741) is 1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine is COc1ccc2oc(C3(N)CCCCC3)nc2c1.
What is the InChIKey of 1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine?
The InChIKey is IWOZDGKTVNVIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-17-10-5-6-12-11(9-10)16-13(18-12)14(15)7-3-2-4-8-14/h5-6,9H,2-4,7-8,15H2,1H3.
What are the key properties of 1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine?
1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine has a molecular weight of 246.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 82622741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).