2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-3-yl)-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1H-triazol-4-yl)indol-7-yl]-1,3-oxazole

C30H19N13O2 — CID 141071928

IUPAC2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-3-yl)-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1H-triazol-4-yl)indol-7-yl]-1,3-oxazole
SMILESc1cnc(-c2c(-c3ncc[nH]3)c3c(-c4c[nH]nn4)c(-c4cc[nH]n4)c(-c4ccon4)c(-c4ncco4)c3n2-c2ccc[nH]2)nc1
InChIInChI=1S/C30H19N13O2/c1-3-19(31-6-1)43-26-23(24(28-34-10-11-35-28)27(43)29-32-7-2-8-33-29)22(18-15-38-42-40-18)20(16-4-9-37-39-16)21(17-5-13-45-41-17)25(26)30-36-12-14-44-30/h1-15,31H,(H,34,35)(H,37,39)(H,38,40,42)
InChIKeyQSVUZKPHCMZZPZ-UHFFFAOYSA-N
MW593.57 g/mol
LogP5.29
Rot. Bonds7

About 2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-3-yl)-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1H-triazol-4-yl)indol-7-yl]-1,3-oxazole

2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-3-yl)-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1H-triazol-4-yl)indol-7-yl]-1,3-oxazole (PubChem CID 141071928) has the molecular formula C30H19N13O2 and a molecular weight of 593.57 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-3-yl)-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1H-triazol-4-yl)indol-7-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-3-yl)-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1H-triazol-4-yl)indol-7-yl]-1,3-oxazole
PubChem CID141071928
Molecular FormulaC30H19N13O2
Molecular Weight593.57 g/mol
Exact Mass593.18
IUPAC Name2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-3-yl)-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1H-triazol-4-yl)indol-7-yl]-1,3-oxazole
SMILESc1cnc(-c2c(-c3ncc[nH]3)c3c(-c4c[nH]nn4)c(-c4cc[nH]n4)c(-c4ccon4)c(-c4ncco4)c3n2-c2ccc[nH]2)nc1
InChIInChI=1S/C30H19N13O2/c1-3-19(31-6-1)43-26-23(24(28-34-10-11-35-28)27(43)29-32-7-2-8-33-29)22(18-15-38-42-40-18)20(16-4-9-37-39-16)21(17-5-13-45-41-17)25(26)30-36-12-14-44-30/h1-15,31H,(H,34,35)(H,37,39)(H,38,40,42)
InChIKeyQSVUZKPHCMZZPZ-UHFFFAOYSA-N
XLogP5.29
TPSA197.49 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500593.57
LogP ≤ 55.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-3-yl)-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1H-triazol-4-yl)indol-7-yl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-cyclopropyl-4-(fluoro(oxazol-2-yl)(pyridin-3-yl)methyl)-1H-benzo[d]imidazol-6-yl)-3,5-dimethylisoxazole
CID 117689724
7-[[6-[(Dimethylamino)methyl]-5-(oxolan-3-yl)-2-pyridinyl]amino]-4-(5-oxa-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl)-2,3-dihydroisoindol-1-one
CID 176836939
3-amino-6-[6-[(1-methylimidazol-2-yl)methoxy]-2-pyridinyl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide
CID 177283565
4-(furan-3-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936923
N,N-diethyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137382182
N,N-diethyl-6-[6-[2-[[2-[2-(ethylcarbamoyl)-1H-indol-5-yl]pyrimidin-4-yl]amino]-5-(1H-pyrazol-4-yl)phenyl]-4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137387851
3-[3-(1H-indol-2-yl)-1-(1,3-oxazol-2-yl)-5-(1H-pyrazol-3-yl)-4-(1H-pyrrol-2-yl)-6-(1H-triazol-4-yl)indazol-7-yl]-1,2-benzoxazole
CID 140976008
4-[2-(furan-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indazol-3-yl)-4-(1H-pyrazol-5-yl)-1,5-bis(1H-pyrrol-2-yl)triazolidin-4-yl]oxadiazole
CID 141036281
2-[1-(1H-imidazol-2-yl)-6-(1,3-oxazol-2-yl)-4-piperazin-1-yl-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)cyclohexa-2,4-dien-1-yl]-1,3-benzoxazole
CID 141064197
2-[6-benzo[h]quinolin-2-yl-7-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-1H-indol-3-yl]-1,3-oxazole
CID 141106718
2-[2-(1H-imidazol-2-yl)-1-isoquinolin-1-yl-6-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-(1H-pyrazol-3-yl)benzimidazol-5-yl]-1,3-benzoxazole
CID 141151092
2-[3-(1,2-oxazol-3-yl)-5-pyrazin-2-yl-7-pyridazin-3-yl-4-pyridin-2-yl-6-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-7H-1,8-naphthyridin-2-yl]-1,3-oxazole
CID 141195754

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-3-yl)-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1H-triazol-4-yl)indol-7-yl]-1,3-oxazole?
The IUPAC name of 2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-3-yl)-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1H-triazol-4-yl)indol-7-yl]-1,3-oxazole (CID 141071928) is 2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-3-yl)-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1H-triazol-4-yl)indol-7-yl]-1,3-oxazole.
What is the SMILES notation for 2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-3-yl)-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1H-triazol-4-yl)indol-7-yl]-1,3-oxazole?
The canonical SMILES for 2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-3-yl)-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1H-triazol-4-yl)indol-7-yl]-1,3-oxazole is c1cnc(-c2c(-c3ncc[nH]3)c3c(-c4c[nH]nn4)c(-c4cc[nH]n4)c(-c4ccon4)c(-c4ncco4)c3n2-c2ccc[nH]2)nc1.
What is the InChIKey of 2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-3-yl)-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1H-triazol-4-yl)indol-7-yl]-1,3-oxazole?
The InChIKey is QSVUZKPHCMZZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N13O2/c1-3-19(31-6-1)43-26-23(24(28-34-10-11-35-28)27(43)29-32-7-2-8-33-29)22(18-15-38-42-40-18)20(16-4-9-37-39-16)21(17-5-13-45-41-17)25(26)30-36-12-14-44-30/h1-15,31H,(H,34,35)(H,37,39)(H,38,40,42).
What are the key properties of 2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-3-yl)-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1H-triazol-4-yl)indol-7-yl]-1,3-oxazole?
2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-3-yl)-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1H-triazol-4-yl)indol-7-yl]-1,3-oxazole has a molecular weight of 593.57 g/mol, XLogP of 5.29, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-3-yl)-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1H-triazol-4-yl)indol-7-yl]-1,3-oxazole is sourced from PubChem (CID 141071928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).