4-(6-methoxy-1,3-benzoxazol-2-yl)-N-propyloxolan-3-amine

C15H20N2O3 — CID 102696585

IUPAC4-(6-methoxy-1,3-benzoxazol-2-yl)-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nc2ccc(OC)cc2o1
InChIInChI=1S/C15H20N2O3/c1-3-6-16-13-9-19-8-11(13)15-17-12-5-4-10(18-2)7-14(12)20-15/h4-5,7,11,13,16H,3,6,8-9H2,1-2H3
InChIKeyHTUHQLUDKSPTFG-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.32
Rot. Bonds5

About 4-(6-methoxy-1,3-benzoxazol-2-yl)-N-propyloxolan-3-amine

4-(6-methoxy-1,3-benzoxazol-2-yl)-N-propyloxolan-3-amine (PubChem CID 102696585) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(6-methoxy-1,3-benzoxazol-2-yl)-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-(6-methoxy-1,3-benzoxazol-2-yl)-N-propyloxolan-3-amine
PubChem CID102696585
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-(6-methoxy-1,3-benzoxazol-2-yl)-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nc2ccc(OC)cc2o1
InChIInChI=1S/C15H20N2O3/c1-3-6-16-13-9-19-8-11(13)15-17-12-5-4-10(18-2)7-14(12)20-15/h4-5,7,11,13,16H,3,6,8-9H2,1-2H3
InChIKeyHTUHQLUDKSPTFG-UHFFFAOYSA-N
XLogP2.32
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-1,3-benzoxazol-2-yl)-N-propyloxolan-3-amine?
The IUPAC name of 4-(6-methoxy-1,3-benzoxazol-2-yl)-N-propyloxolan-3-amine (CID 102696585) is 4-(6-methoxy-1,3-benzoxazol-2-yl)-N-propyloxolan-3-amine.
What is the SMILES notation for 4-(6-methoxy-1,3-benzoxazol-2-yl)-N-propyloxolan-3-amine?
The canonical SMILES for 4-(6-methoxy-1,3-benzoxazol-2-yl)-N-propyloxolan-3-amine is CCCNC1COCC1c1nc2ccc(OC)cc2o1.
What is the InChIKey of 4-(6-methoxy-1,3-benzoxazol-2-yl)-N-propyloxolan-3-amine?
The InChIKey is HTUHQLUDKSPTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-6-16-13-9-19-8-11(13)15-17-12-5-4-10(18-2)7-14(12)20-15/h4-5,7,11,13,16H,3,6,8-9H2,1-2H3.
What are the key properties of 4-(6-methoxy-1,3-benzoxazol-2-yl)-N-propyloxolan-3-amine?
4-(6-methoxy-1,3-benzoxazol-2-yl)-N-propyloxolan-3-amine has a molecular weight of 276.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-1,3-benzoxazol-2-yl)-N-propyloxolan-3-amine is sourced from PubChem (CID 102696585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).