(4R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methoxy-4-methyl-6-propan-2-ylnaphthalen-1-one

C20H25NO3 — CID 15664791

IUPAC(4R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methoxy-4-methyl-6-propan-2-ylnaphthalen-1-one
SMILESCOC1=CC(=O)c2ccc(C(C)C)cc2[C@@]1(C)C1=NC(C)(C)CO1
InChIInChI=1S/C20H25NO3/c1-12(2)13-7-8-14-15(9-13)20(5,17(23-6)10-16(14)22)18-21-19(3,4)11-24-18/h7-10,12H,11H2,1-6H3/t20-/m1/s1
InChIKeySXVTZUIOZUWBMW-HXUWFJFHSA-N
MW327.42 g/mol
LogP4.00
Rot. Bonds3

About (4R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methoxy-4-methyl-6-propan-2-ylnaphthalen-1-one

(4R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methoxy-4-methyl-6-propan-2-ylnaphthalen-1-one (PubChem CID 15664791) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (4R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methoxy-4-methyl-6-propan-2-ylnaphthalen-1-one.

Molecular Properties

Compound Name(4R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methoxy-4-methyl-6-propan-2-ylnaphthalen-1-one
PubChem CID15664791
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(4R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methoxy-4-methyl-6-propan-2-ylnaphthalen-1-one
SMILESCOC1=CC(=O)c2ccc(C(C)C)cc2[C@@]1(C)C1=NC(C)(C)CO1
InChIInChI=1S/C20H25NO3/c1-12(2)13-7-8-14-15(9-13)20(5,17(23-6)10-16(14)22)18-21-19(3,4)11-24-18/h7-10,12H,11H2,1-6H3/t20-/m1/s1
InChIKeySXVTZUIOZUWBMW-HXUWFJFHSA-N
XLogP4.00
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methoxy-4-methyl-6-propan-2-ylnaphthalen-1-one with MolForge

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Related Compounds

Tgg-II-23A
CID 370786
1-(4,4-Dimethyl-4,5-dihydro-2-oxazolyl)-1-methyl-2-methoxynaphthalen-4(1H)-one
CID 370783
1-(4,4-Dimethyl-4,5-dihydro-2-oxazolyl)-1-methyl-4-isopropylnaphthalen-2(1H)-one
CID 370784
1-(4,4-Dimethyl-4,5-dihydro-2-oxazolyl)-1-methyl-4-phenylnaphthalen-2(1H)-one
CID 370787
1-(4,4-dimethyl-5H-oxazol-2-yl)-1-methyl-naphthalen-2-one
CID 455270
1-(4-(Tert-butyl)phenyl)-2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)ethanone
CID 7471343
4-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-6-isopropyl-3-methoxy-4-methyl-1(4H)-naphthalenone
CID 370785
4-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-3-methoxy-4-(4-methyl-3-pentenyl)-1(4H)-naphthalenone
CID 370788
1-[(9R,10R)-10-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10-prop-2-enyl-9H-phenanthren-9-yl]ethanone
CID 399176
1(2H)-Naphthalenone,3-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-3,4-dihydro-
CID 293686
4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]benzaldehyde
CID 18429014
5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12-pentaen-2-one
CID 19088530

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methoxy-4-methyl-6-propan-2-ylnaphthalen-1-one?
The IUPAC name of (4R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methoxy-4-methyl-6-propan-2-ylnaphthalen-1-one (CID 15664791) is (4R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methoxy-4-methyl-6-propan-2-ylnaphthalen-1-one.
What is the SMILES notation for (4R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methoxy-4-methyl-6-propan-2-ylnaphthalen-1-one?
The canonical SMILES for (4R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methoxy-4-methyl-6-propan-2-ylnaphthalen-1-one is COC1=CC(=O)c2ccc(C(C)C)cc2[C@@]1(C)C1=NC(C)(C)CO1.
What is the InChIKey of (4R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methoxy-4-methyl-6-propan-2-ylnaphthalen-1-one?
The InChIKey is SXVTZUIOZUWBMW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25NO3/c1-12(2)13-7-8-14-15(9-13)20(5,17(23-6)10-16(14)22)18-21-19(3,4)11-24-18/h7-10,12H,11H2,1-6H3/t20-/m1/s1.
What are the key properties of (4R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methoxy-4-methyl-6-propan-2-ylnaphthalen-1-one?
(4R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methoxy-4-methyl-6-propan-2-ylnaphthalen-1-one has a molecular weight of 327.42 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-methoxy-4-methyl-6-propan-2-ylnaphthalen-1-one is sourced from PubChem (CID 15664791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).