3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-prop-2-enoxybenzamide

C18H16N2O5 — CID 134019993

IUPAC3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1OC
InChIInChI=1S/C18H16N2O5/c1-3-8-24-15-6-4-11(9-16(15)23-2)17(21)19-12-5-7-14-13(10-12)20-18(22)25-14/h3-7,9-10H,1,8H2,2H3,(H,19,21)(H,20,22)
InChIKeyRJMGLPUMTQHIAV-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.95
Rot. Bonds6

About 3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-prop-2-enoxybenzamide

3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-prop-2-enoxybenzamide (PubChem CID 134019993) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-prop-2-enoxybenzamide
PubChem CID134019993
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1OC
InChIInChI=1S/C18H16N2O5/c1-3-8-24-15-6-4-11(9-16(15)23-2)17(21)19-12-5-7-14-13(10-12)20-18(22)25-14/h3-7,9-10H,1,8H2,2H3,(H,19,21)(H,20,22)
InChIKeyRJMGLPUMTQHIAV-UHFFFAOYSA-N
XLogP2.95
TPSA93.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019844
4-(difluoromethoxy)-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38465227
4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607906
3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide
CID 27284512
2-(2-methoxy-4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37094344
3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide
CID 27167629
N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 42014838
3-methoxy-N-(4-methyl-3-nitrophenyl)-4-prop-2-enoxybenzamide
CID 32689206
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide
CID 27284595
6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 87015454
methyl 2-[[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]benzoyl]amino]acetate
CID 46516482

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-prop-2-enoxybenzamide?
The IUPAC name of 3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-prop-2-enoxybenzamide (CID 134019993) is 3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for 3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-prop-2-enoxybenzamide?
The canonical SMILES for 3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1OC.
What is the InChIKey of 3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-prop-2-enoxybenzamide?
The InChIKey is RJMGLPUMTQHIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-3-8-24-15-6-4-11(9-16(15)23-2)17(21)19-12-5-7-14-13(10-12)20-18(22)25-14/h3-7,9-10H,1,8H2,2H3,(H,19,21)(H,20,22).
What are the key properties of 3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-prop-2-enoxybenzamide?
3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-prop-2-enoxybenzamide has a molecular weight of 340.34 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 134019993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).