3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole

C21H23N5O — CID 50965431

IUPAC3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
SMILESCCCn1ccnc1-c1c(-c2ccccc2)ncn1Cc1c(C)noc1C
InChIInChI=1S/C21H23N5O/c1-4-11-25-12-10-22-21(25)20-19(17-8-6-5-7-9-17)23-14-26(20)13-18-15(2)24-27-16(18)3/h5-10,12,14H,4,11,13H2,1-3H3
InChIKeyWGWBKXKIWCOLTE-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.48
Rot. Bonds6

About 3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole

3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 50965431) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
PubChem CID50965431
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole
SMILESCCCn1ccnc1-c1c(-c2ccccc2)ncn1Cc1c(C)noc1C
InChIInChI=1S/C21H23N5O/c1-4-11-25-12-10-22-21(25)20-19(17-8-6-5-7-9-17)23-14-26(20)13-18-15(2)24-27-16(18)3/h5-10,12,14H,4,11,13H2,1-3H3
InChIKeyWGWBKXKIWCOLTE-UHFFFAOYSA-N
XLogP4.48
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-(4-fluorophenyl)-1-(1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 51353555
5-[(5,15-Dimethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-10-yl)methyl]-3-methyl-1,2-oxazole
CID 16117097
7-Ethyl-2-(3-phenyl-5-isoxazolyl)imidazo[1,2-a]pyridine
CID 2812530
6-Methyl-2-(3-phenyl-5-isoxazolyl)imidazo[1,2-a]pyridine
CID 2813808
3-Methyl-5-[(5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaen-10-yl)methyl]-1,2-oxazole
CID 46882463
N-tert-butyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
CID 137409200
N-[(2S)-1,4-dioxo-1-[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 138545112
1-[1-[[5-(2-Phenylethynyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]ethanol
CID 142479515
N-(2-((4-cyanophenyl)((1-methyl-1H-imidazol-5-yl)methyl)amino)ethyl)-N-((3,5-dimethylisoxazol-4-yl)methyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 49782981
1-Cyclopropyl-3-[[1-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyridin-3-ylimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 71520288
1-Cyclopropyl-3-[[1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-pyridin-3-ylimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 71520399
5-(Imidazol-1-ylmethyl)-3-phenyl-1,2-oxazole
CID 137655303

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole (CID 50965431) is 3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole is CCCn1ccnc1-c1c(-c2ccccc2)ncn1Cc1c(C)noc1C.
What is the InChIKey of 3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is WGWBKXKIWCOLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-4-11-25-12-10-22-21(25)20-19(17-8-6-5-7-9-17)23-14-26(20)13-18-15(2)24-27-16(18)3/h5-10,12,14H,4,11,13H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 361.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 50965431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).