(E)-N-cyclopropyl-3-[5-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]furan-2-yl]prop-2-enamide

C19H16N2O4 — CID 25028632

IUPAC(E)-N-cyclopropyl-3-[5-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]furan-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(/C=C2\Oc3ccccc3NC2=O)o1)NC1CC1
InChIInChI=1S/C19H16N2O4/c22-18(20-12-5-6-12)10-9-13-7-8-14(24-13)11-17-19(23)21-15-3-1-2-4-16(15)25-17/h1-4,7-12H,5-6H2,(H,20,22)(H,21,23)/b10-9+,17-11-
InChIKeyAXKDVABMOFTXKO-LFXKSGLVSA-N
MW336.35 g/mol
LogP2.94
Rot. Bonds4

About (E)-N-cyclopropyl-3-[5-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]furan-2-yl]prop-2-enamide

(E)-N-cyclopropyl-3-[5-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]furan-2-yl]prop-2-enamide (PubChem CID 25028632) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-[5-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-[5-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]furan-2-yl]prop-2-enamide
PubChem CID25028632
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name(E)-N-cyclopropyl-3-[5-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]furan-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(/C=C2\Oc3ccccc3NC2=O)o1)NC1CC1
InChIInChI=1S/C19H16N2O4/c22-18(20-12-5-6-12)10-9-13-7-8-14(24-13)11-17-19(23)21-15-3-1-2-4-16(15)25-17/h1-4,7-12H,5-6H2,(H,20,22)(H,21,23)/b10-9+,17-11-
InChIKeyAXKDVABMOFTXKO-LFXKSGLVSA-N
XLogP2.94
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-cyclopropyl-3-[5-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]furan-2-yl]prop-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

(E)-3-[5-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]furan-2-yl]prop-2-enoic acid
CID 25030054
(E)-N-(3,5-dimethylphenyl)-3-[5-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]furan-2-yl]prop-2-enamide
CID 25028415
N-(4-methylcyclohexyl)-4-[(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]benzamide
CID 5179691
(E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 26877417
(E)-N-cyclopropyl-3-(furan-2-yl)prop-2-enamide
CID 963880
(2Z)-N-cyclopropyl-2-[(2-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 46296623
(2E)-2-[(4-methylphenyl)methylidene]-4H-1,4-benzoxazin-3-one
CID 10729421
2-(2H-pyrrol-4-ylmethylidene)-4H-1,4-benzoxazin-3-one
CID 91308486
(E)-N-cyclohexyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 45352237
(E)-N-(3,3-dimethylcyclopentyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 115880719
(2E)-2-(thiophen-3-ylmethylidene)-4H-1,4-benzoxazin-3-one
CID 23574516
3-[3-(5-bromofuran-2-yl)prop-2-enoylamino]cyclopentane-1-carboxylic acid
CID 77110036

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-[5-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-[5-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]furan-2-yl]prop-2-enamide (CID 25028632) is (E)-N-cyclopropyl-3-[5-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-[5-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-[5-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]furan-2-yl]prop-2-enamide is O=C(/C=C/c1ccc(/C=C2\Oc3ccccc3NC2=O)o1)NC1CC1.
What is the InChIKey of (E)-N-cyclopropyl-3-[5-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]furan-2-yl]prop-2-enamide?
The InChIKey is AXKDVABMOFTXKO-LFXKSGLVSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-18(20-12-5-6-12)10-9-13-7-8-14(24-13)11-17-19(23)21-15-3-1-2-4-16(15)25-17/h1-4,7-12H,5-6H2,(H,20,22)(H,21,23)/b10-9+,17-11-.
What are the key properties of (E)-N-cyclopropyl-3-[5-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]furan-2-yl]prop-2-enamide?
(E)-N-cyclopropyl-3-[5-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]furan-2-yl]prop-2-enamide has a molecular weight of 336.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-[5-[(Z)-(3-oxo-4H-1,4-benzoxazin-2-ylidene)methyl]furan-2-yl]prop-2-enamide is sourced from PubChem (CID 25028632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).