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

C19H20N2O2 — CID 110278882

IUPACN-[1-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NC(C)c2nc3ccccc3o2)cc1
InChIInChI=1S/C19H20N2O2/c1-13-7-9-15(10-8-13)11-12-18(22)20-14(2)19-21-16-5-3-4-6-17(16)23-19/h3-10,14H,11-12H2,1-2H3,(H,20,22)
InChIKeyYQMCXJWNWPFTQX-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.95
Rot. Bonds5

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

N-[1-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide (PubChem CID 110278882) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[1-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
PubChem CID110278882
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NC(C)c2nc3ccccc3o2)cc1
InChIInChI=1S/C19H20N2O2/c1-13-7-9-15(10-8-13)11-12-18(22)20-14(2)19-21-16-5-3-4-6-17(16)23-19/h3-10,14H,11-12H2,1-2H3,(H,20,22)
InChIKeyYQMCXJWNWPFTQX-UHFFFAOYSA-N
XLogP3.95
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 110278820
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 73420210
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 18121491
N-[2-[1-(1,3-benzoxazol-2-yl)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 110278870
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,2-dimethylbutanamide
CID 110278975
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 110278694
N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 110278958
N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110278714
(2S)-2-[3-(1,3-benzoxazol-2-yl)propanoylamino]propanoic acid
CID 119238117
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 110278979
N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 110278731
N-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide
CID 110278943

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide (CID 110278882) is N-[1-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[1-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[1-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NC(C)c2nc3ccccc3o2)cc1.
What is the InChIKey of N-[1-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is YQMCXJWNWPFTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-7-9-15(10-8-13)11-12-18(22)20-14(2)19-21-16-5-3-4-6-17(16)23-19/h3-10,14H,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide?
N-[1-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 308.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 110278882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).