N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylpyrimidin-4-amine

C17H18ClN5O — CID 171997676

IUPACN-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylpyrimidin-4-amine
SMILESCN(c1ccncn1)C1CCCN(c2nc3cc(Cl)ccc3o2)C1
InChIInChI=1S/C17H18ClN5O/c1-22(16-6-7-19-11-20-16)13-3-2-8-23(10-13)17-21-14-9-12(18)4-5-15(14)24-17/h4-7,9,11,13H,2-3,8,10H2,1H3
InChIKeyISYZTDVUYBEOSX-UHFFFAOYSA-N
MW343.82 g/mol
LogP3.38
Rot. Bonds3

About N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylpyrimidin-4-amine

N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylpyrimidin-4-amine (PubChem CID 171997676) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylpyrimidin-4-amine
PubChem CID171997676
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC NameN-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylpyrimidin-4-amine
SMILESCN(c1ccncn1)C1CCCN(c2nc3cc(Cl)ccc3o2)C1
InChIInChI=1S/C17H18ClN5O/c1-22(16-6-7-19-11-20-16)13-3-2-8-23(10-13)17-21-14-9-12(18)4-5-15(14)24-17/h4-7,9,11,13H,2-3,8,10H2,1H3
InChIKeyISYZTDVUYBEOSX-UHFFFAOYSA-N
XLogP3.38
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171997841
1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride
CID 90484315
5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
CID 119084724
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650989
1-(5-chloro-1,3-benzoxazol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 154817860
N-[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
CID 171998300
1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 86885508
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155800806
2-bromo-4-[3-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile
CID 172881568
N-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171993072
N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 171997800
N-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpyrimidin-4-amine
CID 172902521

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylpyrimidin-4-amine (CID 171997676) is N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylpyrimidin-4-amine is CN(c1ccncn1)C1CCCN(c2nc3cc(Cl)ccc3o2)C1.
What is the InChIKey of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylpyrimidin-4-amine?
The InChIKey is ISYZTDVUYBEOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-22(16-6-7-19-11-20-16)13-3-2-8-23(10-13)17-21-14-9-12(18)4-5-15(14)24-17/h4-7,9,11,13H,2-3,8,10H2,1H3.
What are the key properties of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylpyrimidin-4-amine?
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylpyrimidin-4-amine has a molecular weight of 343.82 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 171997676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).