3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide

C19H20N2O3 — CID 110785147

IUPAC3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide
SMILESCOc1cccc(CCC(=O)NCc2ccc3nc(C)oc3c2)c1
InChIInChI=1S/C19H20N2O3/c1-13-21-17-8-6-15(11-18(17)24-13)12-20-19(22)9-7-14-4-3-5-16(10-14)23-2/h3-6,8,10-11H,7,9,12H2,1-2H3,(H,20,22)
InChIKeySOWJWFVNSVBJKI-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.39
Rot. Bonds6

About 3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide

3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide (PubChem CID 110785147) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide
PubChem CID110785147
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide
SMILESCOc1cccc(CCC(=O)NCc2ccc3nc(C)oc3c2)c1
InChIInChI=1S/C19H20N2O3/c1-13-21-17-8-6-15(11-18(17)24-13)12-20-19(22)9-7-14-4-3-5-16(10-14)23-2/h3-6,8,10-11H,7,9,12H2,1-2H3,(H,20,22)
InChIKeySOWJWFVNSVBJKI-UHFFFAOYSA-N
XLogP3.39
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791095
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390584
3-(3-methoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110714640
3-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 43030428
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110711831
3-[[3-(3-methoxyphenyl)propanoylamino]methyl]-N,N-dimethylbenzamide
CID 46401457
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110387937
3-(1H-indol-6-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 71840754
3-(3-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 47399076
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110707393
3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 71840847
N-[(3-methoxyphenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 47007299

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide (CID 110785147) is 3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide is COc1cccc(CCC(=O)NCc2ccc3nc(C)oc3c2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide?
The InChIKey is SOWJWFVNSVBJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-21-17-8-6-15(11-18(17)24-13)12-20-19(22)9-7-14-4-3-5-16(10-14)23-2/h3-6,8,10-11H,7,9,12H2,1-2H3,(H,20,22).
What are the key properties of 3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide?
3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide has a molecular weight of 324.38 g/mol, XLogP of 3.39, 6 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)methyl]propanamide is sourced from PubChem (CID 110785147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).