[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C21H20N2O3 — CID 90503029

IUPAC[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)C1(c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C21H20N2O3/c1-14-6-7-16-15(12-14)4-2-10-23(16)20(24)21(8-9-21)19-13-18(26-22-19)17-5-3-11-25-17/h3,5-7,11-13H,2,4,8-10H2,1H3
InChIKeySAHSHUFESODPIO-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.25
Rot. Bonds3

About [1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 90503029) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is [1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID90503029
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)C1(c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C21H20N2O3/c1-14-6-7-16-15(12-14)4-2-10-23(16)20(24)21(8-9-21)19-13-18(26-22-19)17-5-3-11-25-17/h3,5-7,11-13H,2,4,8-10H2,1H3
InChIKeySAHSHUFESODPIO-UHFFFAOYSA-N
XLogP4.25
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 90503029) is [1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc2c(c1)CCCN2C(=O)C1(c2cc(-c3ccco3)on2)CC1.
What is the InChIKey of [1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is SAHSHUFESODPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14-6-7-16-15(12-14)4-2-10-23(16)20(24)21(8-9-21)19-13-18(26-22-19)17-5-3-11-25-17/h3,5-7,11-13H,2,4,8-10H2,1H3.
What are the key properties of [1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 348.40 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(furan-2-yl)-1,2-oxazol-3-yl]cyclopropyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 90503029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).