(5S)-5-[[4-[5-[(3-ethyl-1,2-oxazol-5-yl)methoxy]pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione

C19H25N7O6S — CID 73349097

IUPAC(5S)-5-[[4-[5-[(3-ethyl-1,2-oxazol-5-yl)methoxy]pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
SMILESCCc1cc(COc2cnc(N3CCN(S(=O)(=O)C[C@@]4(C)NC(=O)NC4=O)CC3)nc2)on1
InChIInChI=1S/C19H25N7O6S/c1-3-13-8-14(32-24-13)11-31-15-9-20-17(21-10-15)25-4-6-26(7-5-25)33(29,30)12-19(2)16(27)22-18(28)23-19/h8-10H,3-7,11-12H2,1-2H3,(H2,22,23,27,28)/t19-/m1/s1
InChIKeyQEDQJMCQDYBMTN-LJQANCHMSA-N
MW479.52 g/mol
LogP-0.34
Rot. Bonds8

About (5S)-5-[[4-[5-[(3-ethyl-1,2-oxazol-5-yl)methoxy]pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione

(5S)-5-[[4-[5-[(3-ethyl-1,2-oxazol-5-yl)methoxy]pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 73349097) has the molecular formula C19H25N7O6S and a molecular weight of 479.52 g/mol. Its IUPAC name is (5S)-5-[[4-[5-[(3-ethyl-1,2-oxazol-5-yl)methoxy]pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[[4-[5-[(3-ethyl-1,2-oxazol-5-yl)methoxy]pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
PubChem CID73349097
Molecular FormulaC19H25N7O6S
Molecular Weight479.52 g/mol
Exact Mass479.16
IUPAC Name(5S)-5-[[4-[5-[(3-ethyl-1,2-oxazol-5-yl)methoxy]pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione
SMILESCCc1cc(COc2cnc(N3CCN(S(=O)(=O)C[C@@]4(C)NC(=O)NC4=O)CC3)nc2)on1
InChIInChI=1S/C19H25N7O6S/c1-3-13-8-14(32-24-13)11-31-15-9-20-17(21-10-15)25-4-6-26(7-5-25)33(29,30)12-19(2)16(27)22-18(28)23-19/h8-10H,3-7,11-12H2,1-2H3,(H2,22,23,27,28)/t19-/m1/s1
InChIKeyQEDQJMCQDYBMTN-LJQANCHMSA-N
XLogP-0.34
TPSA159.86 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5S)-5-[[4-[5-[(3-ethyl-1,2-oxazol-5-yl)methoxy]pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[4-[5-[(3-ethyl-1,2-oxazol-5-yl)methoxy]pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[[4-[5-[(3-ethyl-1,2-oxazol-5-yl)methoxy]pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione (CID 73349097) is (5S)-5-[[4-[5-[(3-ethyl-1,2-oxazol-5-yl)methoxy]pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[[4-[5-[(3-ethyl-1,2-oxazol-5-yl)methoxy]pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[[4-[5-[(3-ethyl-1,2-oxazol-5-yl)methoxy]pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione is CCc1cc(COc2cnc(N3CCN(S(=O)(=O)C[C@@]4(C)NC(=O)NC4=O)CC3)nc2)on1.
What is the InChIKey of (5S)-5-[[4-[5-[(3-ethyl-1,2-oxazol-5-yl)methoxy]pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is QEDQJMCQDYBMTN-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25N7O6S/c1-3-13-8-14(32-24-13)11-31-15-9-20-17(21-10-15)25-4-6-26(7-5-25)33(29,30)12-19(2)16(27)22-18(28)23-19/h8-10H,3-7,11-12H2,1-2H3,(H2,22,23,27,28)/t19-/m1/s1.
What are the key properties of (5S)-5-[[4-[5-[(3-ethyl-1,2-oxazol-5-yl)methoxy]pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-[[4-[5-[(3-ethyl-1,2-oxazol-5-yl)methoxy]pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 479.52 g/mol, XLogP of -0.34, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[4-[5-[(3-ethyl-1,2-oxazol-5-yl)methoxy]pyrimidin-2-yl]piperazin-1-yl]sulfonylmethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 73349097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).