6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]imidazo[1,2-c]pyrimidin-5-one

C20H21N5O2 — CID 170960956

IUPAC6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]imidazo[1,2-c]pyrimidin-5-one
SMILESO=c1n(CCN2CCC(c3noc4ccccc34)CC2)ccc2nccn12
InChIInChI=1S/C20H21N5O2/c26-20-24(11-7-18-21-8-12-25(18)20)14-13-23-9-5-15(6-10-23)19-16-3-1-2-4-17(16)27-22-19/h1-4,7-8,11-12,15H,5-6,9-10,13-14H2
InChIKeyAPIGZZCIQUOWON-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.52
Rot. Bonds4

About 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]imidazo[1,2-c]pyrimidin-5-one

6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]imidazo[1,2-c]pyrimidin-5-one (PubChem CID 170960956) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]imidazo[1,2-c]pyrimidin-5-one
PubChem CID170960956
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]imidazo[1,2-c]pyrimidin-5-one
SMILESO=c1n(CCN2CCC(c3noc4ccccc34)CC2)ccc2nccn12
InChIInChI=1S/C20H21N5O2/c26-20-24(11-7-18-21-8-12-25(18)20)14-13-23-9-5-15(6-10-23)19-16-3-1-2-4-17(16)27-22-19/h1-4,7-8,11-12,15H,5-6,9-10,13-14H2
InChIKeyAPIGZZCIQUOWON-UHFFFAOYSA-N
XLogP2.52
TPSA68.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]imidazo[1,2-c]pyrimidin-5-one (CID 170960956) is 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]imidazo[1,2-c]pyrimidin-5-one is O=c1n(CCN2CCC(c3noc4ccccc34)CC2)ccc2nccn12.
What is the InChIKey of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is APIGZZCIQUOWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-20-24(11-7-18-21-8-12-25(18)20)14-13-23-9-5-15(6-10-23)19-16-3-1-2-4-17(16)27-22-19/h1-4,7-8,11-12,15H,5-6,9-10,13-14H2.
What are the key properties of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]imidazo[1,2-c]pyrimidin-5-one?
6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 363.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 170960956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).