3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]phenyl]-5,5-dimethylimidazol-4-one

C28H32N4O3 — CID 144869972

IUPAC3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]phenyl]-5,5-dimethylimidazol-4-one
SMILESC=Cc1nc(-c2ccc(C3=NC(C)(C)C(=O)N3CC3CCN(C(=O)C4CC4)C3)cc2)oc1/C=C\C
InChIInChI=1S/C28H32N4O3/c1-5-7-23-22(6-2)29-25(35-23)20-10-8-19(9-11-20)24-30-28(3,4)27(34)32(24)17-18-14-15-31(16-18)26(33)21-12-13-21/h5-11,18,21H,2,12-17H2,1,3-4H3/b7-5-
InChIKeyOUPNBEPKTLTZGH-ALCCZGGFSA-N
MW472.59 g/mol
LogP4.64
Rot. Bonds7

About 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]phenyl]-5,5-dimethylimidazol-4-one

3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]phenyl]-5,5-dimethylimidazol-4-one (PubChem CID 144869972) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]phenyl]-5,5-dimethylimidazol-4-one.

Molecular Properties

Compound Name3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]phenyl]-5,5-dimethylimidazol-4-one
PubChem CID144869972
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]phenyl]-5,5-dimethylimidazol-4-one
SMILESC=Cc1nc(-c2ccc(C3=NC(C)(C)C(=O)N3CC3CCN(C(=O)C4CC4)C3)cc2)oc1/C=C\C
InChIInChI=1S/C28H32N4O3/c1-5-7-23-22(6-2)29-25(35-23)20-10-8-19(9-11-20)24-30-28(3,4)27(34)32(24)17-18-14-15-31(16-18)26(33)21-12-13-21/h5-11,18,21H,2,12-17H2,1,3-4H3/b7-5-
InChIKeyOUPNBEPKTLTZGH-ALCCZGGFSA-N
XLogP4.64
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]phenyl]-5,5-dimethylimidazol-4-one with MolForge

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Related Compounds

3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(1H-indol-5-yl)phenyl]-5,5-dimethylimidazol-4-one
CID 118125374
3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5,5-dimethyl-2-(4-quinolin-6-ylphenyl)imidazol-4-one
CID 118125461
3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(1H-indazol-3-yl)phenyl]-5,5-dimethylimidazol-4-one
CID 118125515
2-[4-(1-benzofuran-5-yl)phenyl]-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-methyl-5-phenylimidazol-4-one
CID 131999283
8-acetyl-2-(4-bromophenyl)-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 90001656
6-[2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]ethyl]-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 118619963
6-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(1H-indol-6-yl)-3-methylphenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 123941977
3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(1-methylindazol-5-yl)phenyl]-8-(2,2,2-trifluoroacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 123678001
6-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[2-methyl-4-(1-methylindazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 90002038
3-[[1-(2-hydroxypropanoyl)pyrrolidin-3-yl]methyl]-2-[4-[4-(1-methylpyrazol-4-yl)phenyl]phenyl]-8-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one
CID 123557237
3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-8-[2-(dimethylamino)acetyl]-2-[4-(2,3-dimethyl-1-benzothiophen-5-yl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 144586655
6-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[3-fluoro-4-(1H-indol-6-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 123638207

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]phenyl]-5,5-dimethylimidazol-4-one?
The IUPAC name of 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]phenyl]-5,5-dimethylimidazol-4-one (CID 144869972) is 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]phenyl]-5,5-dimethylimidazol-4-one.
What is the SMILES notation for 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]phenyl]-5,5-dimethylimidazol-4-one?
The canonical SMILES for 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]phenyl]-5,5-dimethylimidazol-4-one is C=Cc1nc(-c2ccc(C3=NC(C)(C)C(=O)N3CC3CCN(C(=O)C4CC4)C3)cc2)oc1/C=C\C.
What is the InChIKey of 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]phenyl]-5,5-dimethylimidazol-4-one?
The InChIKey is OUPNBEPKTLTZGH-ALCCZGGFSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-5-7-23-22(6-2)29-25(35-23)20-10-8-19(9-11-20)24-30-28(3,4)27(34)32(24)17-18-14-15-31(16-18)26(33)21-12-13-21/h5-11,18,21H,2,12-17H2,1,3-4H3/b7-5-.
What are the key properties of 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]phenyl]-5,5-dimethylimidazol-4-one?
3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]phenyl]-5,5-dimethylimidazol-4-one has a molecular weight of 472.59 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-[4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-oxazol-2-yl]phenyl]-5,5-dimethylimidazol-4-one is sourced from PubChem (CID 144869972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).