5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]

C19H21N3O2 — CID 58466672

IUPAC5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
SMILESCOc1ccc(-c2cncnc2)c2c1CC1(CC2)N=C(C)OC1C
InChIInChI=1S/C19H21N3O2/c1-12-19(22-13(2)24-12)7-6-16-15(14-9-20-11-21-10-14)4-5-18(23-3)17(16)8-19/h4-5,9-12H,6-8H2,1-3H3
InChIKeyIDTGKZADNLFRKW-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.22
Rot. Bonds2

About 5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]

5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] (PubChem CID 58466672) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole].

Molecular Properties

Compound Name5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
PubChem CID58466672
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
SMILESCOc1ccc(-c2cncnc2)c2c1CC1(CC2)N=C(C)OC1C
InChIInChI=1S/C19H21N3O2/c1-12-19(22-13(2)24-12)7-6-16-15(14-9-20-11-21-10-14)4-5-18(23-3)17(16)8-19/h4-5,9-12H,6-8H2,1-3H3
InChIKeyIDTGKZADNLFRKW-UHFFFAOYSA-N
XLogP3.22
TPSA56.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The IUPAC name of 5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] (CID 58466672) is 5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole].
What is the SMILES notation for 5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The canonical SMILES for 5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] is COc1ccc(-c2cncnc2)c2c1CC1(CC2)N=C(C)OC1C.
What is the InChIKey of 5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
The InChIKey is IDTGKZADNLFRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-19(22-13(2)24-12)7-6-16-15(14-9-20-11-21-10-14)4-5-18(23-3)17(16)8-19/h4-5,9-12H,6-8H2,1-3H3.
What are the key properties of 5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]?
5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] has a molecular weight of 323.40 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2',5'-dimethyl-8-pyrimidin-5-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole] is sourced from PubChem (CID 58466672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).