N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-(3-methoxyphenyl)propanamide

C19H20N2O3 — CID 110707393

IUPACN-[2-(1,3-benzoxazol-5-yl)ethyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCCc2ccc3ocnc3c2)c1
InChIInChI=1S/C19H20N2O3/c1-23-16-4-2-3-14(11-16)6-8-19(22)20-10-9-15-5-7-18-17(12-15)21-13-24-18/h2-5,7,11-13H,6,8-10H2,1H3,(H,20,22)
InChIKeyFODKLMQUFNPPFF-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.13
Rot. Bonds7

About N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-(3-methoxyphenyl)propanamide

N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-(3-methoxyphenyl)propanamide (PubChem CID 110707393) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-5-yl)ethyl]-3-(3-methoxyphenyl)propanamide
PubChem CID110707393
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[2-(1,3-benzoxazol-5-yl)ethyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCCc2ccc3ocnc3c2)c1
InChIInChI=1S/C19H20N2O3/c1-23-16-4-2-3-14(11-16)6-8-19(22)20-10-9-15-5-7-18-17(12-15)21-13-24-18/h2-5,7,11-13H,6,8-10H2,1H3,(H,20,22)
InChIKeyFODKLMQUFNPPFF-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

3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791095
methyl N-[2-(1,3-benzoxazol-5-yl)ethyl]carbamate
CID 110707385
N-[2-(1,3-benzoxazol-5-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 110707409
N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 119549328
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110711831
4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
CID 110389850
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110295233
4-[2-[3-[2-(3-methoxyphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22685572
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-(3-methoxyphenyl)propanamide (CID 110707393) is N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)NCCc2ccc3ocnc3c2)c1.
What is the InChIKey of N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-(3-methoxyphenyl)propanamide?
The InChIKey is FODKLMQUFNPPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-23-16-4-2-3-14(11-16)6-8-19(22)20-10-9-15-5-7-18-17(12-15)21-13-24-18/h2-5,7,11-13H,6,8-10H2,1H3,(H,20,22).
What are the key properties of N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-(3-methoxyphenyl)propanamide?
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-(3-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-5-yl)ethyl]-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 110707393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).