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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(3-pyrimidin-2-yloxypropyl)piperidin-4-yl]-1,2-benzoxazole
CID 142644427
3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane
CID 91553600
4-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2,2-dimethylbutanoic acid
CID 15941056
(E)-but-2-enedioic acid;3-[1-(2-phenylethyl)piperidin-4-yl]-1,2-benzoxazole
CID 174292430
3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzoxazole;hydrochloride
CID 13076451
5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-[1,3]oxazolo[5,4-c]azepin-4-one
CID 146641535
5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 170960928
3-[[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]pentane-2,4-dione
CID 20707055
2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-N,N-diethylethanamine;bis(but-2-enedioic acid)
CID 70410215
N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 66801186
3-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-N-ethyl-N-prop-1-en-2-ylsulfanylpropan-1-amine
CID 167189702
6-fluoro-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole
CID 163352050

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).