N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyrimidin-4-amine

C14H19N5O3S — CID 126887171

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C14H19N5O3S/c1-10-14(11(2)22-18-10)23(20,21)19-7-4-12(5-8-19)17-13-3-6-15-9-16-13/h3,6,9,12H,4-5,7-8H2,1-2H3,(H,15,16,17)
InChIKeyPGLZEXGNTNPKFZ-UHFFFAOYSA-N
MW337.41 g/mol
LogP1.35
Rot. Bonds4

About N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyrimidin-4-amine

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887171) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887171
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C14H19N5O3S/c1-10-14(11(2)22-18-10)23(20,21)19-7-4-12(5-8-19)17-13-3-6-15-9-16-13/h3,6,9,12H,4-5,7-8H2,1-2H3,(H,15,16,17)
InChIKeyPGLZEXGNTNPKFZ-UHFFFAOYSA-N
XLogP1.35
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide
CID 110823350
N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887254
N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine
CID 171336242
4-[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 121017885
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108562023
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560004
O-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methyl]hydroxylamine
CID 39392885
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108562392
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108559543
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-propan-2-ylpropanamide
CID 53118745

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyrimidin-4-amine (CID 126887171) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyrimidin-4-amine is Cc1noc(C)c1S(=O)(=O)N1CCC(Nc2ccncn2)CC1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is PGLZEXGNTNPKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-10-14(11(2)22-18-10)23(20,21)19-7-4-12(5-8-19)17-13-3-6-15-9-16-13/h3,6,9,12H,4-5,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyrimidin-4-amine?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 337.41 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).