(5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione

C18H18N4O4 — CID 170509553

IUPAC(5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](CCC(=O)N2CCc3oc(-c4ccccc4)nc3C2)N1
InChIInChI=1S/C18H18N4O4/c23-15(7-6-12-16(24)21-18(25)20-12)22-9-8-14-13(10-22)19-17(26-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,20,21,24,25)/t12-/m0/s1
InChIKeySJCKEOQFAHDWMY-LBPRGKRZSA-N
MW354.37 g/mol
LogP1.21
Rot. Bonds4

About (5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione

(5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione (PubChem CID 170509553) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is (5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione
PubChem CID170509553
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name(5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](CCC(=O)N2CCc3oc(-c4ccccc4)nc3C2)N1
InChIInChI=1S/C18H18N4O4/c23-15(7-6-12-16(24)21-18(25)20-12)22-9-8-14-13(10-22)19-17(26-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,20,21,24,25)/t12-/m0/s1
InChIKeySJCKEOQFAHDWMY-LBPRGKRZSA-N
XLogP1.21
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one;hydrochloride
CID 171710804
3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]-2,3-dihydroisoindol-1-one
CID 169411144
2-(cyclopropylamino)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 170504582
3-methylsulfonyl-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 170502048
oxolan-2-yl-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 169413850
5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 164621686
4-ethyl-3-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]piperazin-2-one
CID 169412893
3-(5-methyltetrazol-1-yl)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 169414301
(5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 94150710
6-methyl-4-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-1H-pyridin-2-one
CID 170508120
(5S)-5-[3-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 92561275
5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 156823227

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione (CID 170509553) is (5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@H](CCC(=O)N2CCc3oc(-c4ccccc4)nc3C2)N1.
What is the InChIKey of (5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is SJCKEOQFAHDWMY-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18N4O4/c23-15(7-6-12-16(24)21-18(25)20-12)22-9-8-14-13(10-22)19-17(26-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,20,21,24,25)/t12-/m0/s1.
What are the key properties of (5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione?
(5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 354.37 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 170509553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).