3-[3-[[6-[(1-methylpyrazol-4-yl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

C19H18N6O2 — CID 138682666

IUPAC3-[3-[[6-[(1-methylpyrazol-4-yl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESCn1cc(COc2ccc(Cc3cc(-c4cccnc4N)on3)cn2)cn1
InChIInChI=1S/C19H18N6O2/c1-25-11-14(10-23-25)12-26-18-5-4-13(9-22-18)7-15-8-17(27-24-15)16-3-2-6-21-19(16)20/h2-6,8-11H,7,12H2,1H3,(H2,20,21)
InChIKeyZAKHULQXBDTMND-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.62
Rot. Bonds6

About 3-[3-[[6-[(1-methylpyrazol-4-yl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

3-[3-[[6-[(1-methylpyrazol-4-yl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 138682666) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-[3-[[6-[(1-methylpyrazol-4-yl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[[6-[(1-methylpyrazol-4-yl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID138682666
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name3-[3-[[6-[(1-methylpyrazol-4-yl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESCn1cc(COc2ccc(Cc3cc(-c4cccnc4N)on3)cn2)cn1
InChIInChI=1S/C19H18N6O2/c1-25-11-14(10-23-25)12-26-18-5-4-13(9-22-18)7-15-8-17(27-24-15)16-3-2-6-21-19(16)20/h2-6,8-11H,7,12H2,1H3,(H2,20,21)
InChIKeyZAKHULQXBDTMND-UHFFFAOYSA-N
XLogP2.62
TPSA104.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[6-[(1-methylpyrazol-4-yl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[[6-[(1-methylpyrazol-4-yl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (CID 138682666) is 3-[3-[[6-[(1-methylpyrazol-4-yl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[[6-[(1-methylpyrazol-4-yl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[[6-[(1-methylpyrazol-4-yl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is Cn1cc(COc2ccc(Cc3cc(-c4cccnc4N)on3)cn2)cn1.
What is the InChIKey of 3-[3-[[6-[(1-methylpyrazol-4-yl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is ZAKHULQXBDTMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-25-11-14(10-23-25)12-26-18-5-4-13(9-22-18)7-15-8-17(27-24-15)16-3-2-6-21-19(16)20/h2-6,8-11H,7,12H2,1H3,(H2,20,21).
What are the key properties of 3-[3-[[6-[(1-methylpyrazol-4-yl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
3-[3-[[6-[(1-methylpyrazol-4-yl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 362.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[6-[(1-methylpyrazol-4-yl)methoxy]-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 138682666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).