3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)prop-2-enamide

C18H16N2O3 — CID 103597812

IUPAC3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)prop-2-enamide
SMILESCOc1cccc(C=CC(=O)Nc2ccc3nc(C)oc3c2)c1
InChIInChI=1S/C18H16N2O3/c1-12-19-16-8-7-14(11-17(16)23-12)20-18(21)9-6-13-4-3-5-15(10-13)22-2/h3-11H,1-2H3,(H,20,21)
InChIKeyPJHWKAHWQMJCQE-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.80
Rot. Bonds4

About 3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)prop-2-enamide

3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)prop-2-enamide (PubChem CID 103597812) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)prop-2-enamide
PubChem CID103597812
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)prop-2-enamide
SMILESCOc1cccc(C=CC(=O)Nc2ccc3nc(C)oc3c2)c1
InChIInChI=1S/C18H16N2O3/c1-12-19-16-8-7-14(11-17(16)23-12)20-18(21)9-6-13-4-3-5-15(10-13)22-2/h3-11H,1-2H3,(H,20,21)
InChIKeyPJHWKAHWQMJCQE-UHFFFAOYSA-N
XLogP3.80
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-methoxyphenyl)-N-(2-propan-2-ylindazol-5-yl)prop-2-enamide
CID 86973464
3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
CID 47177700
(E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684281
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-methyl-1,3-benzoxazol-6-yl)prop-2-enamide
CID 103597898
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide
CID 26665909
(E)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 8797787
(E)-3-(3-methoxyphenyl)-N-[3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359675
(E)-3-(3-methoxyphenyl)-N-(4-methoxy-3-sulfamoylphenyl)prop-2-enamide
CID 24634483
(E)-N-(3-chloro-4-cyanophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 26664640
N,N-diethyl-3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 26712685
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(2-methyl-1,3-benzoxazol-5-yl)prop-2-enamide
CID 26701117
(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26688768

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)prop-2-enamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)prop-2-enamide (CID 103597812) is 3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)prop-2-enamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)prop-2-enamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)prop-2-enamide is COc1cccc(C=CC(=O)Nc2ccc3nc(C)oc3c2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)prop-2-enamide?
The InChIKey is PJHWKAHWQMJCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-19-16-8-7-14(11-17(16)23-12)20-18(21)9-6-13-4-3-5-15(10-13)22-2/h3-11H,1-2H3,(H,20,21).
What are the key properties of 3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)prop-2-enamide?
3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)prop-2-enamide has a molecular weight of 308.34 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzoxazol-6-yl)prop-2-enamide is sourced from PubChem (CID 103597812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).