(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]propanamide

C17H18FN3O3 — CID 97349438

IUPAC(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]propanamide
SMILESCc1noc(C)c1[C@@H](C)C(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H18FN3O3/c1-9(15-10(2)20-24-11(15)3)16(22)19-14-8-21(17(14)23)13-6-4-12(18)5-7-13/h4-7,9,14H,8H2,1-3H3,(H,19,22)/t9-,14+/m1/s1
InChIKeyVWDJSLXYJRNCCP-OTYXRUKQSA-N
MW331.35 g/mol
LogP2.07
Rot. Bonds4

About (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]propanamide

(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]propanamide (PubChem CID 97349438) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]propanamide
PubChem CID97349438
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]propanamide
SMILESCc1noc(C)c1[C@@H](C)C(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H18FN3O3/c1-9(15-10(2)20-24-11(15)3)16(22)19-14-8-21(17(14)23)13-6-4-12(18)5-7-13/h4-7,9,14H,8H2,1-3H3,(H,19,22)/t9-,14+/m1/s1
InChIKeyVWDJSLXYJRNCCP-OTYXRUKQSA-N
XLogP2.07
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]propanamide?
The IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]propanamide (CID 97349438) is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]propanamide.
What is the SMILES notation for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]propanamide?
The canonical SMILES for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]propanamide is Cc1noc(C)c1[C@@H](C)C(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O.
What is the InChIKey of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]propanamide?
The InChIKey is VWDJSLXYJRNCCP-OTYXRUKQSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-9(15-10(2)20-24-11(15)3)16(22)19-14-8-21(17(14)23)13-6-4-12(18)5-7-13/h4-7,9,14H,8H2,1-3H3,(H,19,22)/t9-,14+/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]propanamide?
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]propanamide has a molecular weight of 331.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1-(4-fluorophenyl)-2-oxoazetidin-3-yl]propanamide is sourced from PubChem (CID 97349438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).