4-[2-(3,4-dihydro-2H-chromen-2-yloxy)ethyl]-5-methyl-2-phenyl-1,3-oxazole

C21H21NO3 — CID 91578834

IUPAC4-[2-(3,4-dihydro-2H-chromen-2-yloxy)ethyl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CCOC1CCc2ccccc2O1
InChIInChI=1S/C21H21NO3/c1-15-18(22-21(24-15)17-8-3-2-4-9-17)13-14-23-20-12-11-16-7-5-6-10-19(16)25-20/h2-10,20H,11-14H2,1H3
InChIKeyZGSWPVLINAHJPT-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.56
Rot. Bonds5

About 4-[2-(3,4-dihydro-2H-chromen-2-yloxy)ethyl]-5-methyl-2-phenyl-1,3-oxazole

4-[2-(3,4-dihydro-2H-chromen-2-yloxy)ethyl]-5-methyl-2-phenyl-1,3-oxazole (PubChem CID 91578834) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-[2-(3,4-dihydro-2H-chromen-2-yloxy)ethyl]-5-methyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[2-(3,4-dihydro-2H-chromen-2-yloxy)ethyl]-5-methyl-2-phenyl-1,3-oxazole
PubChem CID91578834
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name4-[2-(3,4-dihydro-2H-chromen-2-yloxy)ethyl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CCOC1CCc2ccccc2O1
InChIInChI=1S/C21H21NO3/c1-15-18(22-21(24-15)17-8-3-2-4-9-17)13-14-23-20-12-11-16-7-5-6-10-19(16)25-20/h2-10,20H,11-14H2,1H3
InChIKeyZGSWPVLINAHJPT-UHFFFAOYSA-N
XLogP4.56
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51103556
5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole
CID 18003621
5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole
CID 20723570
N-benzyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]hydroxylamine
CID 23176293
N,N-dimethyl-2-[(1S)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetamide
CID 142856032
5-methyl-4-[2-[4-(5-methylpyrrolidin-2-yl)phenoxy]ethyl]-2-phenyl-1,3-oxazole
CID 21051422
sodium;hydride;2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pentylsulfanyl]acetic acid
CID 173167574
3-benzyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,3-thiazolidine-2,4-dione
CID 23076474
2-methoxy-3-[(1R,3S)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]cyclohexyl]oxypropanoic acid
CID 59659183
2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-6-(2-phenylethyl)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 10254629
2-[carboxymethyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 11189438
4-[2-[4-(chloromethyl)phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 11809594

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dihydro-2H-chromen-2-yloxy)ethyl]-5-methyl-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[2-(3,4-dihydro-2H-chromen-2-yloxy)ethyl]-5-methyl-2-phenyl-1,3-oxazole (CID 91578834) is 4-[2-(3,4-dihydro-2H-chromen-2-yloxy)ethyl]-5-methyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[2-(3,4-dihydro-2H-chromen-2-yloxy)ethyl]-5-methyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[2-(3,4-dihydro-2H-chromen-2-yloxy)ethyl]-5-methyl-2-phenyl-1,3-oxazole is Cc1oc(-c2ccccc2)nc1CCOC1CCc2ccccc2O1.
What is the InChIKey of 4-[2-(3,4-dihydro-2H-chromen-2-yloxy)ethyl]-5-methyl-2-phenyl-1,3-oxazole?
The InChIKey is ZGSWPVLINAHJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-15-18(22-21(24-15)17-8-3-2-4-9-17)13-14-23-20-12-11-16-7-5-6-10-19(16)25-20/h2-10,20H,11-14H2,1H3.
What are the key properties of 4-[2-(3,4-dihydro-2H-chromen-2-yloxy)ethyl]-5-methyl-2-phenyl-1,3-oxazole?
4-[2-(3,4-dihydro-2H-chromen-2-yloxy)ethyl]-5-methyl-2-phenyl-1,3-oxazole has a molecular weight of 335.40 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dihydro-2H-chromen-2-yloxy)ethyl]-5-methyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 91578834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).