(4Z)-4-[(2-butan-2-yloxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one

C18H17NO4 — CID 19663541

IUPAC(4Z)-4-[(2-butan-2-yloxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESCCC(C)Oc1ccccc1/C=C1\N=C(c2ccco2)OC1=O
InChIInChI=1S/C18H17NO4/c1-3-12(2)22-15-8-5-4-7-13(15)11-14-18(20)23-17(19-14)16-9-6-10-21-16/h4-12H,3H2,1-2H3/b14-11-
InChIKeyNRAPJKSVHNIKBQ-KAMYIIQDSA-N
MW311.34 g/mol
LogP3.80
Rot. Bonds5

About (4Z)-4-[(2-butan-2-yloxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one

(4Z)-4-[(2-butan-2-yloxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one (PubChem CID 19663541) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (4Z)-4-[(2-butan-2-yloxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(2-butan-2-yloxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
PubChem CID19663541
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name(4Z)-4-[(2-butan-2-yloxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESCCC(C)Oc1ccccc1/C=C1\N=C(c2ccco2)OC1=O
InChIInChI=1S/C18H17NO4/c1-3-12(2)22-15-8-5-4-7-13(15)11-14-18(20)23-17(19-14)16-9-6-10-21-16/h4-12H,3H2,1-2H3/b14-11-
InChIKeyNRAPJKSVHNIKBQ-KAMYIIQDSA-N
XLogP3.80
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-[(4-butan-2-yloxy-3,5-diiodophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 19663543
(4E)-2-(furan-2-yl)-4-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6488541
(4Z)-4-[[2-[(3-bromophenyl)methoxy]phenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 19663362
(4Z)-2-(4-methylphenyl)-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19662111
2-(furan-2-yl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 5124809
(4E)-2-naphthalen-1-yl-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6006272
(4E)-2-(2-bromophenyl)-4-[(2-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 1004822
(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 19663191
4-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 3735197
(4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 5411455
(4Z)-2-(furan-2-yl)-4-[(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19663497
[4-[(Z)-[2-(furan-2-yl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 2-methylpropanoate
CID 19663488

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2-butan-2-yloxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(2-butan-2-yloxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one (CID 19663541) is (4Z)-4-[(2-butan-2-yloxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(2-butan-2-yloxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(2-butan-2-yloxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is CCC(C)Oc1ccccc1/C=C1\N=C(c2ccco2)OC1=O.
What is the InChIKey of (4Z)-4-[(2-butan-2-yloxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The InChIKey is NRAPJKSVHNIKBQ-KAMYIIQDSA-N. The full InChI is InChI=1S/C18H17NO4/c1-3-12(2)22-15-8-5-4-7-13(15)11-14-18(20)23-17(19-14)16-9-6-10-21-16/h4-12H,3H2,1-2H3/b14-11-.
What are the key properties of (4Z)-4-[(2-butan-2-yloxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
(4Z)-4-[(2-butan-2-yloxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one has a molecular weight of 311.34 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2-butan-2-yloxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is sourced from PubChem (CID 19663541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).