4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

C19H17N3O2 — CID 137319657

IUPAC4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(-c2c(C)noc2C)c2cccnc2c1
InChIInChI=1S/C19H17N3O2/c1-10-18(12(3)23-21-10)14-8-16(19-11(2)22-24-13(19)4)15-6-5-7-20-17(15)9-14/h5-9H,1-4H3
InChIKeyFMFYPUWWJKSKRP-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.78
Rot. Bonds2

About 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 137319657) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID137319657
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(-c2c(C)noc2C)c2cccnc2c1
InChIInChI=1S/C19H17N3O2/c1-10-18(12(3)23-21-10)14-8-16(19-11(2)22-24-13(19)4)15-6-5-7-20-17(15)9-14/h5-9H,1-4H3
InChIKeyFMFYPUWWJKSKRP-UHFFFAOYSA-N
XLogP4.78
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide
CID 77461280
(R)-5-methyl-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-3-phenylisoxazole
CID 11582059
4-[(2-Tert-Butylphenyl)amino]-7-(3,5-Dimethyl-1,2-Oxazol-4-Yl)quinoline-3-Carboxylic Acid
CID 57339435
4-Anilino-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide
CID 70689554
6-(3,5-dimethylisoxazol-4-yl)-4-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 86296389
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethyl)indol-1-yl]-N-hydroxyhexanamide
CID 141736086
6-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)indol-1-yl]-N-hydroxyhexanamide
CID 141736087
7-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)indol-1-yl]-N-hydroxyheptanamide
CID 141736089
7-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-methylphenyl)methyl]indol-1-yl]-N-hydroxyheptanamide
CID 141736094
7-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methylphenyl)methyl]indol-1-yl]-N-hydroxyheptanamide
CID 141736096
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methylphenyl)methyl]indol-1-yl]-N-hydroxyhexanamide
CID 141736098
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3-methylphenyl)methyl]indol-1-yl]-N-hydroxyhexanamide
CID 141736100

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (CID 137319657) is 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cc(-c2c(C)noc2C)c2cccnc2c1.
What is the InChIKey of 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is FMFYPUWWJKSKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-10-18(12(3)23-21-10)14-8-16(19-11(2)22-24-13(19)4)15-6-5-7-20-17(15)9-14/h5-9H,1-4H3.
What are the key properties of 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 319.36 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 137319657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).