(5R)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione

C21H17N7O3 — CID 40804493

IUPAC(5R)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
SMILESC[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2cc(-c3ccccc3)on2)C1=O
InChIInChI=1S/C21H17N7O3/c1-21(15-8-5-9-17(10-15)28-13-22-25-26-28)19(29)27(20(30)23-21)12-16-11-18(31-24-16)14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,23,30)/t21-/m1/s1
InChIKeyMAPCGTLRISJHCF-OAQYLSRUSA-N
MW415.41 g/mol
LogP2.28
Rot. Bonds5

About (5R)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione

(5R)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 40804493) has the molecular formula C21H17N7O3 and a molecular weight of 415.41 g/mol. Its IUPAC name is (5R)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
PubChem CID40804493
Molecular FormulaC21H17N7O3
Molecular Weight415.41 g/mol
Exact Mass415.14
IUPAC Name(5R)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
SMILESC[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2cc(-c3ccccc3)on2)C1=O
InChIInChI=1S/C21H17N7O3/c1-21(15-8-5-9-17(10-15)28-13-22-25-26-28)19(29)27(20(30)23-21)12-16-11-18(31-24-16)14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,23,30)/t21-/m1/s1
InChIKeyMAPCGTLRISJHCF-OAQYLSRUSA-N
XLogP2.28
TPSA119.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41132317
3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 42918844
(5S)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 40855979
(5S)-3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41082147
5-(furan-2-yl)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 47013283
(5R)-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41196469
3-[2-(4-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 42918836
(5R)-3-[2-(3-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41111698
(5R)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41320332
(5S)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41320331
N-benzyl-N-(2-methoxyethyl)-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetamide
CID 41272661
(5R)-3-[2-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41196473

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione (CID 40804493) is (5R)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione is C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2cc(-c3ccccc3)on2)C1=O.
What is the InChIKey of (5R)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is MAPCGTLRISJHCF-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H17N7O3/c1-21(15-8-5-9-17(10-15)28-13-22-25-26-28)19(29)27(20(30)23-21)12-16-11-18(31-24-16)14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,23,30)/t21-/m1/s1.
What are the key properties of (5R)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
(5R)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 415.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 40804493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).