3,5-dimethyl-4-[3-(3-methyl-2H-imidazol-1-yl)-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,2-oxazole

C32H27N5O2 — CID 140943650

IUPAC3,5-dimethyl-4-[3-(3-methyl-2H-imidazol-1-yl)-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(N2C=CN(C)C2)c1
InChIInChI=1S/C32H27N5O2/c1-21-32(22(2)39-34-21)23-16-24(36-15-14-35(3)20-36)18-26(17-23)38-25-11-12-28-27-8-4-5-9-29(27)37(30(28)19-25)31-10-6-7-13-33-31/h4-19H,20H2,1-3H3
InChIKeyCSXVIGIFDQWJFI-UHFFFAOYSA-N
MW513.60 g/mol
LogP7.42
Rot. Bonds5

About 3,5-dimethyl-4-[3-(3-methyl-2H-imidazol-1-yl)-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,2-oxazole

3,5-dimethyl-4-[3-(3-methyl-2H-imidazol-1-yl)-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,2-oxazole (PubChem CID 140943650) has the molecular formula C32H27N5O2 and a molecular weight of 513.60 g/mol. Its IUPAC name is 3,5-dimethyl-4-[3-(3-methyl-2H-imidazol-1-yl)-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[3-(3-methyl-2H-imidazol-1-yl)-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,2-oxazole
PubChem CID140943650
Molecular FormulaC32H27N5O2
Molecular Weight513.60 g/mol
Exact Mass513.22
IUPAC Name3,5-dimethyl-4-[3-(3-methyl-2H-imidazol-1-yl)-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(N2C=CN(C)C2)c1
InChIInChI=1S/C32H27N5O2/c1-21-32(22(2)39-34-21)23-16-24(36-15-14-35(3)20-36)18-26(17-23)38-25-11-12-28-27-8-4-5-9-29(27)37(30(28)19-25)31-10-6-7-13-33-31/h4-19H,20H2,1-3H3
InChIKeyCSXVIGIFDQWJFI-UHFFFAOYSA-N
XLogP7.42
TPSA59.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
2-tert-butyl-7-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 162274973
2-[[5-(3-methyl-2H-imidazol-1-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl]oxy]-9-pyridin-2-ylcarbazole
CID 155650282
2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623
2,7-bis[[9-methyl-2-(3-methyl-2H-imidazol-1-yl)carbazol-4-yl]oxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole
CID 154592363
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole
CID 155652369
6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline
CID 162771944
2-[3-[3-(2,4-difluorophenyl)-2H-benzimidazol-1-yl]-5-(2,6-dimethyl-4-phenylphenyl)phenoxy]-9-pyridin-2-ylcarbazole
CID 172534222
2-[3-[4-(4-methylphenyl)-3H-1,2,4-triazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 159315592
9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155606671
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 157334163
2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole
CID 155606559

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[3-(3-methyl-2H-imidazol-1-yl)-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[3-(3-methyl-2H-imidazol-1-yl)-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,2-oxazole (CID 140943650) is 3,5-dimethyl-4-[3-(3-methyl-2H-imidazol-1-yl)-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[3-(3-methyl-2H-imidazol-1-yl)-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[3-(3-methyl-2H-imidazol-1-yl)-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,2-oxazole is Cc1noc(C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4ccccn4)c3c2)cc(N2C=CN(C)C2)c1.
What is the InChIKey of 3,5-dimethyl-4-[3-(3-methyl-2H-imidazol-1-yl)-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,2-oxazole?
The InChIKey is CSXVIGIFDQWJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N5O2/c1-21-32(22(2)39-34-21)23-16-24(36-15-14-35(3)20-36)18-26(17-23)38-25-11-12-28-27-8-4-5-9-29(27)37(30(28)19-25)31-10-6-7-13-33-31/h4-19H,20H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[3-(3-methyl-2H-imidazol-1-yl)-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,2-oxazole?
3,5-dimethyl-4-[3-(3-methyl-2H-imidazol-1-yl)-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,2-oxazole has a molecular weight of 513.60 g/mol, XLogP of 7.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[3-(3-methyl-2H-imidazol-1-yl)-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,2-oxazole is sourced from PubChem (CID 140943650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).