3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

C18H18N4O2 — CID 138682145

IUPAC3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(OCC3CC3)nc2)no1
InChIInChI=1S/C18H18N4O2/c19-18-15(2-1-7-20-18)16-9-14(22-24-16)8-13-5-6-17(21-10-13)23-11-12-3-4-12/h1-2,5-7,9-10,12H,3-4,8,11H2,(H2,19,20)
InChIKeyAOTJBXOGEASWRG-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.09
Rot. Bonds6

About 3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 138682145) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID138682145
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(OCC3CC3)nc2)no1
InChIInChI=1S/C18H18N4O2/c19-18-15(2-1-7-20-18)16-9-14(22-24-16)8-13-5-6-17(21-10-13)23-11-12-3-4-12/h1-2,5-7,9-10,12H,3-4,8,11H2,(H2,19,20)
InChIKeyAOTJBXOGEASWRG-UHFFFAOYSA-N
XLogP3.09
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (CID 138682145) is 3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is Nc1ncccc1-c1cc(Cc2ccc(OCC3CC3)nc2)no1.
What is the InChIKey of 3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is AOTJBXOGEASWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c19-18-15(2-1-7-20-18)16-9-14(22-24-16)8-13-5-6-17(21-10-13)23-11-12-3-4-12/h1-2,5-7,9-10,12H,3-4,8,11H2,(H2,19,20).
What are the key properties of 3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 322.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 138682145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).