(4S)-3'-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C17H18N4O4 — CID 95582137

IUPAC(4S)-3'-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCCCc1nc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)no1
InChIInChI=1S/C17H18N4O4/c1-2-5-14-18-13(20-25-14)10-21-15(22)17(19-16(21)23)8-9-24-12-7-4-3-6-11(12)17/h3-4,6-7H,2,5,8-10H2,1H3,(H,19,23)/t17-/m0/s1
InChIKeyOTMSBPNUWKDBLS-KRWDZBQOSA-N
MW342.36 g/mol
LogP1.75
Rot. Bonds4

About (4S)-3'-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

(4S)-3'-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 95582137) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is (4S)-3'-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4S)-3'-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID95582137
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name(4S)-3'-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCCCc1nc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)no1
InChIInChI=1S/C17H18N4O4/c1-2-5-14-18-13(20-25-14)10-21-15(22)17(19-16(21)23)8-9-24-12-7-4-3-6-11(12)17/h3-4,6-7H,2,5,8-10H2,1H3,(H,19,23)/t17-/m0/s1
InChIKeyOTMSBPNUWKDBLS-KRWDZBQOSA-N
XLogP1.75
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 36509633
(4S)-3'-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 95584177
(4R)-3'-(trimethylsilylmethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 99804409
(4R)-3'-[(3-methyl-1,2-oxazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 9291202
(4S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 41131523
(4R)-3'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2442704
(4S)-3'-[(2-chlorophenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2516578
(4S)-3'-[(5-chlorothiadiazol-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 9450202
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 3761688
(4S)-3'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 26008541
3'-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 46583103
(4R)-3'-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 52908678

Frequently Asked Questions

What is the IUPAC name of (4S)-3'-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4S)-3'-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 95582137) is (4S)-3'-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4S)-3'-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4S)-3'-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is CCCc1nc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)no1.
What is the InChIKey of (4S)-3'-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is OTMSBPNUWKDBLS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-2-5-14-18-13(20-25-14)10-21-15(22)17(19-16(21)23)8-9-24-12-7-4-3-6-11(12)17/h3-4,6-7H,2,5,8-10H2,1H3,(H,19,23)/t17-/m0/s1.
What are the key properties of (4S)-3'-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
(4S)-3'-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 342.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3'-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 95582137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).