(5S)-3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione

C15H17N3O3S — CID 95324203

IUPAC(5S)-3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCc1oc(-c2ccsc2)nc1CN1C(=O)N[C@@H](C(C)C)C1=O
InChIInChI=1S/C15H17N3O3S/c1-8(2)12-14(19)18(15(20)17-12)6-11-9(3)21-13(16-11)10-4-5-22-7-10/h4-5,7-8,12H,6H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeyYUDKKJWMTHSDTO-LBPRGKRZSA-N
MW319.39 g/mol
LogP2.79
Rot. Bonds4

About (5S)-3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione

(5S)-3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 95324203) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is (5S)-3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID95324203
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name(5S)-3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCc1oc(-c2ccsc2)nc1CN1C(=O)N[C@@H](C(C)C)C1=O
InChIInChI=1S/C15H17N3O3S/c1-8(2)12-14(19)18(15(20)17-12)6-11-9(3)21-13(16-11)10-4-5-22-7-10/h4-5,7-8,12H,6H2,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeyYUDKKJWMTHSDTO-LBPRGKRZSA-N
XLogP2.79
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 95324203) is (5S)-3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione is Cc1oc(-c2ccsc2)nc1CN1C(=O)N[C@@H](C(C)C)C1=O.
What is the InChIKey of (5S)-3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is YUDKKJWMTHSDTO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-8(2)12-14(19)18(15(20)17-12)6-11-9(3)21-13(16-11)10-4-5-22-7-10/h4-5,7-8,12H,6H2,1-3H3,(H,17,20)/t12-/m0/s1.
What are the key properties of (5S)-3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione?
(5S)-3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 319.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 95324203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).