(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal

C20H17NO3 — CID 10980111

IUPAC(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal
SMILESCc1oc(-c2ccccc2)nc1COc1ccc(/C=C/C=O)cc1
InChIInChI=1S/C20H17NO3/c1-15-19(21-20(24-15)17-7-3-2-4-8-17)14-23-18-11-9-16(10-12-18)6-5-13-22/h2-13H,14H2,1H3/b6-5+
InChIKeyHPAYMKXPCQDNDL-AATRIKPKSA-N
MW319.36 g/mol
LogP4.44
Rot. Bonds6

About (E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal

(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal (PubChem CID 10980111) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is (E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal
PubChem CID10980111
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal
SMILESCc1oc(-c2ccccc2)nc1COc1ccc(/C=C/C=O)cc1
InChIInChI=1S/C20H17NO3/c1-15-19(21-20(24-15)17-7-3-2-4-8-17)14-23-18-11-9-16(10-12-18)6-5-13-22/h2-13H,14H2,1H3/b6-5+
InChIKeyHPAYMKXPCQDNDL-AATRIKPKSA-N
XLogP4.44
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal 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

ethyl (2E,4E)-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]penta-2,4-dienoate
CID 86750133
(E)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]phenyl]prop-2-enal
CID 19965609
(5E)-5-[(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enylidene]-1,3-oxazolidine-2,4-dione
CID 24840838
3-[4-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]prop-2-enal
CID 54477659
3-[2,3,6-trifluoro-5-methyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal
CID 173323908
(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanamine
CID 142052737
methyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate
CID 15280381
methyl 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]prop-2-enoate
CID 54227540
2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]isoindole-1,3-dione
CID 22344648
2-[6-methyl-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-3-pyridinyl]acetic acid
CID 68884951
(2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]propanoic acid
CID 10992528
3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl methanesulfonate
CID 87956133

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal?
The IUPAC name of (E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal (CID 10980111) is (E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal.
What is the SMILES notation for (E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal?
The canonical SMILES for (E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal is Cc1oc(-c2ccccc2)nc1COc1ccc(/C=C/C=O)cc1.
What is the InChIKey of (E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal?
The InChIKey is HPAYMKXPCQDNDL-AATRIKPKSA-N. The full InChI is InChI=1S/C20H17NO3/c1-15-19(21-20(24-15)17-7-3-2-4-8-17)14-23-18-11-9-16(10-12-18)6-5-13-22/h2-13H,14H2,1H3/b6-5+.
What are the key properties of (E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal?
(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal has a molecular weight of 319.36 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal is sourced from PubChem (CID 10980111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).