N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide

C19H20N2O3 — CID 110711828

IUPACN-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCc2nc3ccccc3o2)cc1
InChIInChI=1S/C19H20N2O3/c1-23-15-9-6-14(7-10-15)8-11-18(22)20-13-12-19-21-16-4-2-3-5-17(16)24-19/h2-7,9-10H,8,11-13H2,1H3,(H,20,22)
InChIKeyCXTGMAYIODRHAY-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.13
Rot. Bonds7

About N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide

N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 110711828) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID110711828
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCc2nc3ccccc3o2)cc1
InChIInChI=1S/C19H20N2O3/c1-23-15-9-6-14(7-10-15)8-11-18(22)20-13-12-19-21-16-4-2-3-5-17(16)24-19/h2-7,9-10H,8,11-13H2,1H3,(H,20,22)
InChIKeyCXTGMAYIODRHAY-UHFFFAOYSA-N
XLogP3.13
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110711831
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 110711803
3-(4-methoxyphenyl)-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 110660602
3-(1,3-benzoxazol-2-yl)-N-[2-(3,4-dimethylphenoxy)ethyl]propanamide
CID 100510603
4-(1,3-benzoxazol-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 100511083
3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791095
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 118761451
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
CID 110711644
4-(1,3-benzoxazol-2-yl)-N-[2-(4-tert-butylphenoxy)ethyl]butanamide
CID 39278562
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 135091140

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide (CID 110711828) is N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCCc2nc3ccccc3o2)cc1.
What is the InChIKey of N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is CXTGMAYIODRHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-23-15-9-6-14(7-10-15)8-11-18(22)20-13-12-19-21-16-4-2-3-5-17(16)24-19/h2-7,9-10H,8,11-13H2,1H3,(H,20,22).
What are the key properties of N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 324.38 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 110711828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).