(5S)-5-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylimidazolidine-2,4-dione

C22H27N5O4 — CID 110204863

IUPAC(5S)-5-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylimidazolidine-2,4-dione
SMILESCc1noc(C)c1CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccccc3)C2=O)CC1
InChIInChI=1S/C22H27N5O4/c1-15-18(16(2)31-24-15)14-25-10-12-26(13-11-25)20(28)9-8-19-21(29)27(22(30)23-19)17-6-4-3-5-7-17/h3-7,19H,8-14H2,1-2H3,(H,23,30)/t19-/m0/s1
InChIKeyQBSZRBXRRUIGSD-IBGZPJMESA-N
MW425.49 g/mol
LogP1.84
Rot. Bonds6

About (5S)-5-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylimidazolidine-2,4-dione

(5S)-5-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylimidazolidine-2,4-dione (PubChem CID 110204863) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is (5S)-5-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylimidazolidine-2,4-dione
PubChem CID110204863
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC Name(5S)-5-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylimidazolidine-2,4-dione
SMILESCc1noc(C)c1CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccccc3)C2=O)CC1
InChIInChI=1S/C22H27N5O4/c1-15-18(16(2)31-24-15)14-25-10-12-26(13-11-25)20(28)9-8-19-21(29)27(22(30)23-19)17-6-4-3-5-7-17/h3-7,19H,8-14H2,1-2H3,(H,23,30)/t19-/m0/s1
InChIKeyQBSZRBXRRUIGSD-IBGZPJMESA-N
XLogP1.84
TPSA98.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.84
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

1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 154738961
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 57422465
(E)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride
CID 71782735
benzyl N-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-4-oxobutyl]carbamate
CID 55853418
7-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]heptan-1-one
CID 119857150
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-ethoxypropan-1-one
CID 136523311
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone
CID 60508151
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone
CID 35252936
2-(2-chlorophenyl)sulfanyl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 55718984
(E)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 94135480
3-(1H-benzimidazol-2-yl)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 134714693

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylimidazolidine-2,4-dione (CID 110204863) is (5S)-5-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylimidazolidine-2,4-dione is Cc1noc(C)c1CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccccc3)C2=O)CC1.
What is the InChIKey of (5S)-5-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylimidazolidine-2,4-dione?
The InChIKey is QBSZRBXRRUIGSD-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N5O4/c1-15-18(16(2)31-24-15)14-25-10-12-26(13-11-25)20(28)9-8-19-21(29)27(22(30)23-19)17-6-4-3-5-7-17/h3-7,19H,8-14H2,1-2H3,(H,23,30)/t19-/m0/s1.
What are the key properties of (5S)-5-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylimidazolidine-2,4-dione?
(5S)-5-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylimidazolidine-2,4-dione has a molecular weight of 425.49 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 110204863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).