3-[3-[[2-(1,3-oxazol-2-ylmethoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

C18H17N5O3 — CID 170219798

IUPAC3-[3-[[2-(1,3-oxazol-2-ylmethoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(CC2=CNC(OCc3ncco3)C=C2)no1
InChIInChI=1S/C18H17N5O3/c19-18-14(2-1-5-21-18)15-9-13(23-26-15)8-12-3-4-16(22-10-12)25-11-17-20-6-7-24-17/h1-7,9-10,16,22H,8,11H2,(H2,19,21)
InChIKeyDVGMCVKFZHVDLW-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.44
Rot. Bonds6

About 3-[3-[[2-(1,3-oxazol-2-ylmethoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

3-[3-[[2-(1,3-oxazol-2-ylmethoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 170219798) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-[3-[[2-(1,3-oxazol-2-ylmethoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[[2-(1,3-oxazol-2-ylmethoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID170219798
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name3-[3-[[2-(1,3-oxazol-2-ylmethoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(CC2=CNC(OCc3ncco3)C=C2)no1
InChIInChI=1S/C18H17N5O3/c19-18-14(2-1-5-21-18)15-9-13(23-26-15)8-12-3-4-16(22-10-12)25-11-17-20-6-7-24-17/h1-7,9-10,16,22H,8,11H2,(H2,19,21)
InChIKeyDVGMCVKFZHVDLW-UHFFFAOYSA-N
XLogP2.44
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[3-[[2-[(1-methylpyrazol-4-yl)methoxy]-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 170219787
3-[3-[[2-(3-fluorophenoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 170219950
3-[3-[[4-(phenoxymethyl)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 59255496
3-[3-[[4-[(5-fluoro-3-pyridinyl)methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682375
3-[3-[(4-phenoxyphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 67130843
3-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682145
3-[3-[[6-[(2-bromo-4-pyridinyl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682075
3-[3-[[4-[[4-[(methylideneamino)methyl]phenyl]methoxy]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 155375618
3-[3-[[6-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682443
3-[3-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 59255147
3-[3-[(4-pyridin-2-ylphenyl)methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682184
3-[3-[[4-[(2,6-difluoro-4-pyridinyl)methyl]phenyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
CID 138682322

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(1,3-oxazol-2-ylmethoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[[2-(1,3-oxazol-2-ylmethoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (CID 170219798) is 3-[3-[[2-(1,3-oxazol-2-ylmethoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[[2-(1,3-oxazol-2-ylmethoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[[2-(1,3-oxazol-2-ylmethoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is Nc1ncccc1-c1cc(CC2=CNC(OCc3ncco3)C=C2)no1.
What is the InChIKey of 3-[3-[[2-(1,3-oxazol-2-ylmethoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is DVGMCVKFZHVDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c19-18-14(2-1-5-21-18)15-9-13(23-26-15)8-12-3-4-16(22-10-12)25-11-17-20-6-7-24-17/h1-7,9-10,16,22H,8,11H2,(H2,19,21).
What are the key properties of 3-[3-[[2-(1,3-oxazol-2-ylmethoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
3-[3-[[2-(1,3-oxazol-2-ylmethoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 351.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(1,3-oxazol-2-ylmethoxy)-1,2-dihydropyridin-5-yl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 170219798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).