(E)-N-[3-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-3-(oxolan-2-yl)prop-2-enamide

C20H20N2O3 — CID 137465400

IUPAC(E)-N-[3-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-3-(oxolan-2-yl)prop-2-enamide
SMILESO=C(/C=C/C1CCCO1)Nc1cccc(C2Nc3ccccc3O2)c1
InChIInChI=1S/C20H20N2O3/c23-19(11-10-16-7-4-12-24-16)21-15-6-3-5-14(13-15)20-22-17-8-1-2-9-18(17)25-20/h1-3,5-6,8-11,13,16,20,22H,4,7,12H2,(H,21,23)/b11-10+
InChIKeyUGDWBWIYOSZJES-ZHACJKMWSA-N
MW336.39 g/mol
LogP3.86
Rot. Bonds4

About (E)-N-[3-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-3-(oxolan-2-yl)prop-2-enamide

(E)-N-[3-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-3-(oxolan-2-yl)prop-2-enamide (PubChem CID 137465400) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (E)-N-[3-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-3-(oxolan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-3-(oxolan-2-yl)prop-2-enamide
PubChem CID137465400
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(E)-N-[3-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-3-(oxolan-2-yl)prop-2-enamide
SMILESO=C(/C=C/C1CCCO1)Nc1cccc(C2Nc3ccccc3O2)c1
InChIInChI=1S/C20H20N2O3/c23-19(11-10-16-7-4-12-24-16)21-15-6-3-5-14(13-15)20-22-17-8-1-2-9-18(17)25-20/h1-3,5-6,8-11,13,16,20,22H,4,7,12H2,(H,21,23)/b11-10+
InChIKeyUGDWBWIYOSZJES-ZHACJKMWSA-N
XLogP3.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-naphthalen-2-yl-3-(oxolan-2-yl)prop-2-enamide
CID 137465399
N-[3-(1,3-dioxolan-2-yl)phenyl]piperidine-2-carboxamide
CID 106911956
(E)-3-cyclohexyl-N-phenylprop-2-enamide
CID 127126956
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
1-(3-methylphenyl)-3-(oxolan-2-yl)urea
CID 110706685
5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide
CID 107910768
N-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide
CID 106911880
1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea
CID 13101482
2-(2,3-dihydro-1-benzofuran-4-yl)-2,3-dihydro-1,3-benzoxazole
CID 166716951
N-(3-cyclopropylphenyl)-3-(1H-indazol-3-yl)prop-2-enamide
CID 91469780
N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 106913178
N-[3-(1,3-dioxan-2-yl)phenyl]thiophene-2-carboxamide
CID 847833

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-3-(oxolan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-3-(oxolan-2-yl)prop-2-enamide (CID 137465400) is (E)-N-[3-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-3-(oxolan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-3-(oxolan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-3-(oxolan-2-yl)prop-2-enamide is O=C(/C=C/C1CCCO1)Nc1cccc(C2Nc3ccccc3O2)c1.
What is the InChIKey of (E)-N-[3-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-3-(oxolan-2-yl)prop-2-enamide?
The InChIKey is UGDWBWIYOSZJES-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-19(11-10-16-7-4-12-24-16)21-15-6-3-5-14(13-15)20-22-17-8-1-2-9-18(17)25-20/h1-3,5-6,8-11,13,16,20,22H,4,7,12H2,(H,21,23)/b11-10+.
What are the key properties of (E)-N-[3-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-3-(oxolan-2-yl)prop-2-enamide?
(E)-N-[3-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-3-(oxolan-2-yl)prop-2-enamide has a molecular weight of 336.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-3-(oxolan-2-yl)prop-2-enamide is sourced from PubChem (CID 137465400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).