5-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]

C18H24N4O2 — CID 167754986

IUPAC5-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
SMILESc1nc2c([nH]1)CCN(Cc1nc3c(o1)CCCC3)C21CCOCC1
InChIInChI=1S/C18H24N4O2/c1-2-4-15-13(3-1)21-16(24-15)11-22-8-5-14-17(20-12-19-14)18(22)6-9-23-10-7-18/h12H,1-11H2,(H,19,20)
InChIKeyZGCROBDDWHPPCX-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.34
Rot. Bonds2

About 5-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]

5-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] (PubChem CID 167754986) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane].

Molecular Properties

Compound Name5-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
PubChem CID167754986
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
SMILESc1nc2c([nH]1)CCN(Cc1nc3c(o1)CCCC3)C21CCOCC1
InChIInChI=1S/C18H24N4O2/c1-2-4-15-13(3-1)21-16(24-15)11-22-8-5-14-17(20-12-19-14)18(22)6-9-23-10-7-18/h12H,1-11H2,(H,19,20)
InChIKeyZGCROBDDWHPPCX-UHFFFAOYSA-N
XLogP2.34
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The IUPAC name of 5-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] (CID 167754986) is 5-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane].
What is the SMILES notation for 5-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The canonical SMILES for 5-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] is c1nc2c([nH]1)CCN(Cc1nc3c(o1)CCCC3)C21CCOCC1.
What is the InChIKey of 5-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
The InChIKey is ZGCROBDDWHPPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-4-15-13(3-1)21-16(24-15)11-22-8-5-14-17(20-12-19-14)18(22)6-9-23-10-7-18/h12H,1-11H2,(H,19,20).
What are the key properties of 5-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]?
5-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] has a molecular weight of 328.42 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane] is sourced from PubChem (CID 167754986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).