(3R)-5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine

C17H18N4O2 — CID 58466867

IUPAC(3R)-5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCOc1ccc(-c2cncnc2)c2c1C[C@]1(CC2)COC(N)=N1
InChIInChI=1S/C17H18N4O2/c1-22-15-3-2-12(11-7-19-10-20-8-11)13-4-5-17(6-14(13)15)9-23-16(18)21-17/h2-3,7-8,10H,4-6,9H2,1H3,(H2,18,21)/t17-/m1/s1
InChIKeyAOHQECVWQNDWPH-QGZVFWFLSA-N
MW310.36 g/mol
LogP1.72
Rot. Bonds2

About (3R)-5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine

(3R)-5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 58466867) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (3R)-5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name(3R)-5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
PubChem CID58466867
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(3R)-5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
SMILESCOc1ccc(-c2cncnc2)c2c1C[C@]1(CC2)COC(N)=N1
InChIInChI=1S/C17H18N4O2/c1-22-15-3-2-12(11-7-19-10-20-8-11)13-4-5-17(6-14(13)15)9-23-16(18)21-17/h2-3,7-8,10H,4-6,9H2,1H3,(H2,18,21)/t17-/m1/s1
InChIKeyAOHQECVWQNDWPH-QGZVFWFLSA-N
XLogP1.72
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of (3R)-5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine (CID 58466867) is (3R)-5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for (3R)-5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for (3R)-5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is COc1ccc(-c2cncnc2)c2c1C[C@]1(CC2)COC(N)=N1.
What is the InChIKey of (3R)-5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is AOHQECVWQNDWPH-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-22-15-3-2-12(11-7-19-10-20-8-11)13-4-5-17(6-14(13)15)9-23-16(18)21-17/h2-3,7-8,10H,4-6,9H2,1H3,(H2,18,21)/t17-/m1/s1.
What are the key properties of (3R)-5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine?
(3R)-5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 310.36 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methoxy-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58466867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).