1-(cyclohexylmethyl)-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione

C18H23N5O3 — CID 58409572

IUPAC1-(cyclohexylmethyl)-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
SMILESCc1oncc1Cn1cc(N2C(=O)CN(CC3CCCCC3)C2=O)cn1
InChIInChI=1S/C18H23N5O3/c1-13-15(7-20-26-13)10-22-11-16(8-19-22)23-17(24)12-21(18(23)25)9-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3
InChIKeyZXSAOWRQYITXTJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.58
Rot. Bonds5

About 1-(cyclohexylmethyl)-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione

1-(cyclohexylmethyl)-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione (PubChem CID 58409572) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
PubChem CID58409572
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name1-(cyclohexylmethyl)-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
SMILESCc1oncc1Cn1cc(N2C(=O)CN(CC3CCCCC3)C2=O)cn1
InChIInChI=1S/C18H23N5O3/c1-13-15(7-20-26-13)10-22-11-16(8-19-22)23-17(24)12-21(18(23)25)9-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3
InChIKeyZXSAOWRQYITXTJ-UHFFFAOYSA-N
XLogP2.58
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 1-(cyclohexylmethyl)-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione (CID 58409572) is 1-(cyclohexylmethyl)-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 1-(cyclohexylmethyl)-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione is Cc1oncc1Cn1cc(N2C(=O)CN(CC3CCCCC3)C2=O)cn1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?
The InChIKey is ZXSAOWRQYITXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-13-15(7-20-26-13)10-22-11-16(8-19-22)23-17(24)12-21(18(23)25)9-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?
1-(cyclohexylmethyl)-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione has a molecular weight of 357.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 58409572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).