(5S)-5-[3-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]imidazolidine-2,4-dione

C20H23N5O4 — CID 92561275

IUPAC(5S)-5-[3-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1cccc(C)c1Nc1noc2c1CN(C(=O)CC[C@@H]1NC(=O)NC1=O)CC2
InChIInChI=1S/C20H23N5O4/c1-11-4-3-5-12(2)17(11)22-18-13-10-25(9-8-15(13)29-24-18)16(26)7-6-14-19(27)23-20(28)21-14/h3-5,14H,6-10H2,1-2H3,(H,22,24)(H2,21,23,27,28)/t14-/m0/s1
InChIKeyQWIKGLPPRXXIGD-AWEZNQCLSA-N
MW397.44 g/mol
LogP1.91
Rot. Bonds5

About (5S)-5-[3-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]imidazolidine-2,4-dione

(5S)-5-[3-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 92561275) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is (5S)-5-[3-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[3-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID92561275
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC Name(5S)-5-[3-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1cccc(C)c1Nc1noc2c1CN(C(=O)CC[C@@H]1NC(=O)NC1=O)CC2
InChIInChI=1S/C20H23N5O4/c1-11-4-3-5-12(2)17(11)22-18-13-10-25(9-8-15(13)29-24-18)16(26)7-6-14-19(27)23-20(28)21-14/h3-5,14H,6-10H2,1-2H3,(H,22,24)(H2,21,23,27,28)/t14-/m0/s1
InChIKeyQWIKGLPPRXXIGD-AWEZNQCLSA-N
XLogP1.91
TPSA116.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5S)-5-[3-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

(5S)-5-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 97119685
[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-methylimidazol-4-yl)methanone
CID 92561302
(5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione
CID 170509553
5-[3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 70739520
(5R)-5-[3-[4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97118518
5-[3-[3-(2-ethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136735074
(5R)-5-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97121739
5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 164610328
(5S)-5-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 165420309
5-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 156823227
(5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97114558
5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 164621686

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[3-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 92561275) is (5S)-5-[3-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[3-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[3-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]imidazolidine-2,4-dione is Cc1cccc(C)c1Nc1noc2c1CN(C(=O)CC[C@@H]1NC(=O)NC1=O)CC2.
What is the InChIKey of (5S)-5-[3-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is QWIKGLPPRXXIGD-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-11-4-3-5-12(2)17(11)22-18-13-10-25(9-8-15(13)29-24-18)16(26)7-6-14-19(27)23-20(28)21-14/h3-5,14H,6-10H2,1-2H3,(H,22,24)(H2,21,23,27,28)/t14-/m0/s1.
What are the key properties of (5S)-5-[3-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]imidazolidine-2,4-dione?
(5S)-5-[3-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 397.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 92561275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).