N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine

C16H22N6O2 — CID 126887311

IUPACN-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(Cc3noc(C4CCOC4)n3)CC2)ncn1
InChIInChI=1S/C16H22N6O2/c1-5-17-11-18-14(1)19-13-2-6-22(7-3-13)9-15-20-16(24-21-15)12-4-8-23-10-12/h1,5,11-13H,2-4,6-10H2,(H,17,18,19)
InChIKeyZWWWQIZLSPKJLK-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.44
Rot. Bonds5

About N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine

N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887311) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887311
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(Cc3noc(C4CCOC4)n3)CC2)ncn1
InChIInChI=1S/C16H22N6O2/c1-5-17-11-18-14(1)19-13-2-6-22(7-3-13)9-15-20-16(24-21-15)12-4-8-23-10-12/h1,5,11-13H,2-4,6-10H2,(H,17,18,19)
InChIKeyZWWWQIZLSPKJLK-UHFFFAOYSA-N
XLogP1.44
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine with MolForge

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Related Compounds

6-methyl-N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887732
N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine
CID 126890176
N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine
CID 126887423
5-(oxan-4-yl)-3-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 126894391
N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887336
N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887317
N-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119926550
[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324587
N-(oxan-4-yl)-4-(pyrimidin-4-ylamino)piperidine-1-carboxamide
CID 126887116
N-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887360
N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887338
N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 144655106

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine (CID 126887311) is N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine is c1cc(NC2CCN(Cc3noc(C4CCOC4)n3)CC2)ncn1.
What is the InChIKey of N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is ZWWWQIZLSPKJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-5-17-11-18-14(1)19-13-2-6-22(7-3-13)9-15-20-16(24-21-15)12-4-8-23-10-12/h1,5,11-13H,2-4,6-10H2,(H,17,18,19).
What are the key properties of N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 330.39 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).