N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

C16H22N4O3 — CID 133459006

IUPACN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCC(C)c1noc(-c2ccnc(NCCC3(C)OCCO3)c2)n1
InChIInChI=1S/C16H22N4O3/c1-11(2)14-19-15(23-20-14)12-4-6-17-13(10-12)18-7-5-16(3)21-8-9-22-16/h4,6,10-11H,5,7-9H2,1-3H3,(H,17,18)
InChIKeyUKCIJGLWHNIGMM-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.82
Rot. Bonds6

About N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 133459006) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID133459006
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCC(C)c1noc(-c2ccnc(NCCC3(C)OCCO3)c2)n1
InChIInChI=1S/C16H22N4O3/c1-11(2)14-19-15(23-20-14)12-4-6-17-13(10-12)18-7-5-16(3)21-8-9-22-16/h4,6,10-11H,5,7-9H2,1-3H3,(H,17,18)
InChIKeyUKCIJGLWHNIGMM-UHFFFAOYSA-N
XLogP2.82
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-piperidin-1-ylethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133316709
1-morpholin-4-yl-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]propan-2-ol
CID 133383194
N-[2-(2,4-difluorophenyl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133322446
3-[[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]phenol
CID 167800163
N-[(2-phenylcyclopropyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133322061
N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 154800103
N-(1-benzofuran-2-ylmethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133317191
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 71871464
N-(1-cyclobutylethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133417791
N-[(5-chloro-2-methoxyphenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133317454
N-[(2-nitrophenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133318076
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrimidin-2-amine
CID 131153457

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 133459006) is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is CC(C)c1noc(-c2ccnc(NCCC3(C)OCCO3)c2)n1.
What is the InChIKey of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is UKCIJGLWHNIGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11(2)14-19-15(23-20-14)12-4-6-17-13(10-12)18-7-5-16(3)21-8-9-22-16/h4,6,10-11H,5,7-9H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 318.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 133459006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).