3-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazol-2-one

C19H23N5O2 — CID 110219623

IUPAC3-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
SMILESCN(C)c1ncc(CN2CCCC(n3c(=O)oc4ccccc43)C2)cn1
InChIInChI=1S/C19H23N5O2/c1-22(2)18-20-10-14(11-21-18)12-23-9-5-6-15(13-23)24-16-7-3-4-8-17(16)26-19(24)25/h3-4,7-8,10-11,15H,5-6,9,12-13H2,1-2H3
InChIKeyZKWBRSUQJCHXSB-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.29
Rot. Bonds4

About 3-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazol-2-one

3-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazol-2-one (PubChem CID 110219623) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
PubChem CID110219623
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name3-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
SMILESCN(C)c1ncc(CN2CCCC(n3c(=O)oc4ccccc43)C2)cn1
InChIInChI=1S/C19H23N5O2/c1-22(2)18-20-10-14(11-21-18)12-23-9-5-6-15(13-23)24-16-7-3-4-8-17(16)26-19(24)25/h3-4,7-8,10-11,15H,5-6,9,12-13H2,1-2H3
InChIKeyZKWBRSUQJCHXSB-UHFFFAOYSA-N
XLogP2.29
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
CID 110219603
3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-benzoxazol-2-one
CID 110219595
3-[(3S)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
CID 124787661
5-chloro-3-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]-1,3-benzoxazol-2-one
CID 92576656
N,N-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrimidin-2-amine
CID 120968118
N,N-dimethyl-5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine
CID 110096277
N,N-dimethyl-5-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-amine
CID 126891791
N,N-dimethyl-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidin-2-amine
CID 77087221
3-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-one
CID 92581589
(7R,8aS)-2-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 167849942
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 171994115
5-chloro-3-[(3S)-1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperidin-3-yl]-1,3-benzoxazol-2-one
CID 95808212

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazol-2-one (CID 110219623) is 3-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazol-2-one is CN(C)c1ncc(CN2CCCC(n3c(=O)oc4ccccc43)C2)cn1.
What is the InChIKey of 3-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazol-2-one?
The InChIKey is ZKWBRSUQJCHXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-22(2)18-20-10-14(11-21-18)12-23-9-5-6-15(13-23)24-16-7-3-4-8-17(16)26-19(24)25/h3-4,7-8,10-11,15H,5-6,9,12-13H2,1-2H3.
What are the key properties of 3-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazol-2-one?
3-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazol-2-one has a molecular weight of 353.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 110219623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).