(E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-en-1-ol

C22H19NO4 — CID 139705393

IUPAC(E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-en-1-ol
SMILESCc1oc(-c2ccccc2)nc1COc1ccc2cc(/C=C/CO)oc2c1
InChIInChI=1S/C22H19NO4/c1-15-20(23-22(26-15)16-6-3-2-4-7-16)14-25-18-10-9-17-12-19(8-5-11-24)27-21(17)13-18/h2-10,12-13,24H,11,14H2,1H3/b8-5+
InChIKeyOIMKOHQRPPFNBL-VMPITWQZSA-N
MW361.40 g/mol
LogP4.98
Rot. Bonds6

About (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-en-1-ol

(E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-en-1-ol (PubChem CID 139705393) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-en-1-ol
PubChem CID139705393
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name(E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-en-1-ol
SMILESCc1oc(-c2ccccc2)nc1COc1ccc2cc(/C=C/CO)oc2c1
InChIInChI=1S/C22H19NO4/c1-15-20(23-22(26-15)16-6-3-2-4-7-16)14-25-18-10-9-17-12-19(8-5-11-24)27-21(17)13-18/h2-10,12-13,24H,11,14H2,1H3/b8-5+
InChIKeyOIMKOHQRPPFNBL-VMPITWQZSA-N
XLogP4.98
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-en-1-ol 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 (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-enoate
CID 19694380
[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 11140977
[3-ethoxy-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 69427333
5-methyl-2-phenyl-4-[[2-(5-propyltetrazol-1-yl)-1-benzofuran-6-yl]oxymethyl]-1,3-oxazole
CID 67664064
3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]prop-2-enoic acid
CID 70283163
(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal
CID 10980111
5-[3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]propyl]-1,3-oxazolidine-2,4-dione
CID 70282530
(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanamine
CID 142052737
2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68883980
5-methyl-4-[(3-nitroquinolin-7-yl)oxymethyl]-2-phenyl-1,3-oxazole
CID 21469326
N-[(2E,4E)-5-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]hexa-2,4-dienyl]hydroxylamine
CID 10667246
N-[(Z)-3-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]but-2-enyl]hydroxylamine
CID 10569860

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-en-1-ol (CID 139705393) is (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-en-1-ol is Cc1oc(-c2ccccc2)nc1COc1ccc2cc(/C=C/CO)oc2c1.
What is the InChIKey of (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-en-1-ol?
The InChIKey is OIMKOHQRPPFNBL-VMPITWQZSA-N. The full InChI is InChI=1S/C22H19NO4/c1-15-20(23-22(26-15)16-6-3-2-4-7-16)14-25-18-10-9-17-12-19(8-5-11-24)27-21(17)13-18/h2-10,12-13,24H,11,14H2,1H3/b8-5+.
What are the key properties of (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-en-1-ol?
(E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-en-1-ol has a molecular weight of 361.40 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 139705393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).