(4S)-3-[(4-methoxy-2-pyridinyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C13H18N2O3 — CID 72913100

IUPAC(4S)-3-[(4-methoxy-2-pyridinyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCOc1ccnc(CN2C(=O)OC[C@@H]2C(C)C)c1
InChIInChI=1S/C13H18N2O3/c1-9(2)12-8-18-13(16)15(12)7-10-6-11(17-3)4-5-14-10/h4-6,9,12H,7-8H2,1-3H3/t12-/m1/s1
InChIKeyIEEMFXDHRWNFLV-GFCCVEGCSA-N
MW250.30 g/mol
LogP2.07
Rot. Bonds4

About (4S)-3-[(4-methoxy-2-pyridinyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(4-methoxy-2-pyridinyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 72913100) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (4S)-3-[(4-methoxy-2-pyridinyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(4-methoxy-2-pyridinyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID72913100
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(4S)-3-[(4-methoxy-2-pyridinyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCOc1ccnc(CN2C(=O)OC[C@@H]2C(C)C)c1
InChIInChI=1S/C13H18N2O3/c1-9(2)12-8-18-13(16)15(12)7-10-6-11(17-3)4-5-14-10/h4-6,9,12H,7-8H2,1-3H3/t12-/m1/s1
InChIKeyIEEMFXDHRWNFLV-GFCCVEGCSA-N
XLogP2.07
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(4-methoxy-2-pyridinyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(4-methoxy-2-pyridinyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 72913100) is (4S)-3-[(4-methoxy-2-pyridinyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(4-methoxy-2-pyridinyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(4-methoxy-2-pyridinyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one is COc1ccnc(CN2C(=O)OC[C@@H]2C(C)C)c1.
What is the InChIKey of (4S)-3-[(4-methoxy-2-pyridinyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is IEEMFXDHRWNFLV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(2)12-8-18-13(16)15(12)7-10-6-11(17-3)4-5-14-10/h4-6,9,12H,7-8H2,1-3H3/t12-/m1/s1.
What are the key properties of (4S)-3-[(4-methoxy-2-pyridinyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(4-methoxy-2-pyridinyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 250.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(4-methoxy-2-pyridinyl)methyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 72913100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).