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

C12H14N4O2 — CID 97456824

IUPACN-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCNc1cc(-c2nc([C@H]3CCOC3)no2)ccn1
InChIInChI=1S/C12H14N4O2/c1-13-10-6-8(2-4-14-10)12-15-11(16-18-12)9-3-5-17-7-9/h2,4,6,9H,3,5,7H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyJTZZPCPSLPVSMS-VIFPVBQESA-N
MW246.27 g/mol
LogP1.68
Rot. Bonds3

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

N-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 97456824) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID97456824
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCNc1cc(-c2nc([C@H]3CCOC3)no2)ccn1
InChIInChI=1S/C12H14N4O2/c1-13-10-6-8(2-4-14-10)12-15-11(16-18-12)9-3-5-17-7-9/h2,4,6,9H,3,5,7H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyJTZZPCPSLPVSMS-VIFPVBQESA-N
XLogP1.68
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106524833
3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 97436994
3-[(3S)-oxolan-3-yl]-5-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 97437113
N,N-dimethyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]aniline
CID 97433611
5-(furan-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97018511
5-(2-methyl-1,3-benzothiazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97444499
2-bromo-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813760
5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443285
5-(4-ethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72925037
5-(4-fluoro-3-methoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911954
N,N-dimethyl-1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 72892117
5-(2,3-dihydro-1H-indol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 65330487

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of N-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 97456824) is N-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is CNc1cc(-c2nc([C@H]3CCOC3)no2)ccn1.
What is the InChIKey of N-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is JTZZPCPSLPVSMS-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N4O2/c1-13-10-6-8(2-4-14-10)12-15-11(16-18-12)9-3-5-17-7-9/h2,4,6,9H,3,5,7H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of N-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
N-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 246.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 97456824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).