5-methoxy-3-[(1S)-1-phenylethyl]-1,3-oxazol-2-one

C12H13NO3 — CID 139818724

IUPAC5-methoxy-3-[(1S)-1-phenylethyl]-1,3-oxazol-2-one
SMILESCOc1cn([C@@H](C)c2ccccc2)c(=O)o1
InChIInChI=1S/C12H13NO3/c1-9(10-6-4-3-5-7-10)13-8-11(15-2)16-12(13)14/h3-9H,1-2H3/t9-/m0/s1
InChIKeyYJUVYYBAPHJZEL-VIFPVBQESA-N
MW219.24 g/mol
LogP2.06
Rot. Bonds3

About 5-methoxy-3-[(1S)-1-phenylethyl]-1,3-oxazol-2-one

5-methoxy-3-[(1S)-1-phenylethyl]-1,3-oxazol-2-one (PubChem CID 139818724) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-methoxy-3-[(1S)-1-phenylethyl]-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-methoxy-3-[(1S)-1-phenylethyl]-1,3-oxazol-2-one
PubChem CID139818724
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name5-methoxy-3-[(1S)-1-phenylethyl]-1,3-oxazol-2-one
SMILESCOc1cn([C@@H](C)c2ccccc2)c(=O)o1
InChIInChI=1S/C12H13NO3/c1-9(10-6-4-3-5-7-10)13-8-11(15-2)16-12(13)14/h3-9H,1-2H3/t9-/m0/s1
InChIKeyYJUVYYBAPHJZEL-VIFPVBQESA-N
XLogP2.06
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethoxy-3-(1-phenylethyl)-1,3-oxazol-2-one
CID 22728492
5-(2-methylphenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one
CID 102264527
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
4-methyl-2-[(1S)-1-phenylethyl]isoquinolin-1-one
CID 102208891
1-[1-(4-methoxyphenyl)ethyl]pyridin-2-one
CID 102218490
5-methoxy-3-[1-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one
CID 72714182
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 10597583
5-methyl-3-(1-phenylethyl)-1H-imidazole-2-thione
CID 81335015
4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile
CID 82117080
1-[(1S)-1-phenylethyl]pyrrole-2-carbaldehyde
CID 40800229
1-[(1R)-1-phenylethyl]pyrrole-2-carboxylic acid
CID 45480522
6,7-dimethoxy-3-(1-phenylethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 4889991

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(1S)-1-phenylethyl]-1,3-oxazol-2-one?
The IUPAC name of 5-methoxy-3-[(1S)-1-phenylethyl]-1,3-oxazol-2-one (CID 139818724) is 5-methoxy-3-[(1S)-1-phenylethyl]-1,3-oxazol-2-one.
What is the SMILES notation for 5-methoxy-3-[(1S)-1-phenylethyl]-1,3-oxazol-2-one?
The canonical SMILES for 5-methoxy-3-[(1S)-1-phenylethyl]-1,3-oxazol-2-one is COc1cn([C@@H](C)c2ccccc2)c(=O)o1.
What is the InChIKey of 5-methoxy-3-[(1S)-1-phenylethyl]-1,3-oxazol-2-one?
The InChIKey is YJUVYYBAPHJZEL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13NO3/c1-9(10-6-4-3-5-7-10)13-8-11(15-2)16-12(13)14/h3-9H,1-2H3/t9-/m0/s1.
What are the key properties of 5-methoxy-3-[(1S)-1-phenylethyl]-1,3-oxazol-2-one?
5-methoxy-3-[(1S)-1-phenylethyl]-1,3-oxazol-2-one has a molecular weight of 219.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[(1S)-1-phenylethyl]-1,3-oxazol-2-one is sourced from PubChem (CID 139818724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).