[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone

C19H17NO3 — CID 18074313

IUPAC[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
SMILESCc1noc(C)c1COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H17NO3/c1-13-18(14(2)23-20-13)12-22-17-10-8-16(9-11-17)19(21)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyDSJUMFKQCKTRPX-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.10
Rot. Bonds5

About [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone (PubChem CID 18074313) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
PubChem CID18074313
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
SMILESCc1noc(C)c1COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H17NO3/c1-13-18(14(2)23-20-13)12-22-17-10-8-16(9-11-17)19(21)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKeyDSJUMFKQCKTRPX-UHFFFAOYSA-N
XLogP4.10
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[3,5-bis[(4-benzoylphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]-phenylmethanone
CID 101243710
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone
CID 18165734
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-phenylphenoxy)acetate
CID 2364688
[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-phenylmethanone
CID 9137989
(Z)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid
CID 97305645
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-phenylbutyl)benzamide
CID 46533721
[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 39566022
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31264698
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2639635
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide
CID 2466288
N-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 78781700
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-iodobenzoic acid
CID 114103458

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone (CID 18074313) is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone is Cc1noc(C)c1COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone?
The InChIKey is DSJUMFKQCKTRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-13-18(14(2)23-20-13)12-22-17-10-8-16(9-11-17)19(21)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3.
What are the key properties of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone?
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone has a molecular weight of 307.35 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 18074313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).