(5S)-1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione

C20H21N5O3 — CID 53373636

IUPAC(5S)-1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)[C@H](C)N(Cc3ccccc3)C2=O)cn1
InChIInChI=1S/C20H21N5O3/c1-13-18(15(3)28-22-13)12-23-11-17(9-21-23)25-19(26)14(2)24(20(25)27)10-16-7-5-4-6-8-16/h4-9,11,14H,10,12H2,1-3H3/t14-/m0/s1
InChIKeyDTORSKIHKJYASR-AWEZNQCLSA-N
MW379.42 g/mol
LogP2.89
Rot. Bonds5

About (5S)-1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione

(5S)-1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 53373636) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is (5S)-1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID53373636
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name(5S)-1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)[C@H](C)N(Cc3ccccc3)C2=O)cn1
InChIInChI=1S/C20H21N5O3/c1-13-18(15(3)28-22-13)12-23-11-17(9-21-23)25-19(26)14(2)24(20(25)27)10-16-7-5-4-6-8-16/h4-9,11,14H,10,12H2,1-3H3/t14-/m0/s1
InChIKeyDTORSKIHKJYASR-AWEZNQCLSA-N
XLogP2.89
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.89
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 (5S)-1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione (CID 53373636) is (5S)-1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)[C@H](C)N(Cc3ccccc3)C2=O)cn1.
What is the InChIKey of (5S)-1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is DTORSKIHKJYASR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-18(15(3)28-22-13)12-23-11-17(9-21-23)25-19(26)14(2)24(20(25)27)10-16-7-5-4-6-8-16/h4-9,11,14H,10,12H2,1-3H3/t14-/m0/s1.
What are the key properties of (5S)-1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione?
(5S)-1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 379.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 53373636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).