[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone

C17H22N2O3 — CID 40503563

IUPAC[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(C2=NO[C@@H](C(=O)N3CCC(C)CC3)C2)cc1
InChIInChI=1S/C17H22N2O3/c1-12-7-9-19(10-8-12)17(20)16-11-15(18-22-16)13-3-5-14(21-2)6-4-13/h3-6,12,16H,7-11H2,1-2H3/t16-/m1/s1
InChIKeyHJPVMPXSPABFBV-MRXNPFEDSA-N
MW302.37 g/mol
LogP2.45
Rot. Bonds3

About [(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone

[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 40503563) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is [(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID40503563
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(C2=NO[C@@H](C(=O)N3CCC(C)CC3)C2)cc1
InChIInChI=1S/C17H22N2O3/c1-12-7-9-19(10-8-12)17(20)16-11-15(18-22-16)13-3-5-14(21-2)6-4-13/h3-6,12,16H,7-11H2,1-2H3/t16-/m1/s1
InChIKeyHJPVMPXSPABFBV-MRXNPFEDSA-N
XLogP2.45
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone (CID 40503563) is [(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone is COc1ccc(C2=NO[C@@H](C(=O)N3CCC(C)CC3)C2)cc1.
What is the InChIKey of [(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is HJPVMPXSPABFBV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-7-9-19(10-8-12)17(20)16-11-15(18-22-16)13-3-5-14(21-2)6-4-13/h3-6,12,16H,7-11H2,1-2H3/t16-/m1/s1.
What are the key properties of [(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 302.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 40503563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).