N-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide

C18H17N3O3 — CID 110773893

IUPACN-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cc2ccc3oc(C)nc3c2)c1
InChIInChI=1S/C18H17N3O3/c1-11(22)19-14-4-3-5-15(10-14)21-18(23)9-13-6-7-17-16(8-13)20-12(2)24-17/h3-8,10H,9H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyQAMNZMCWWAARDL-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.28
Rot. Bonds4

About N-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide

N-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide (PubChem CID 110773893) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide
PubChem CID110773893
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cc2ccc3oc(C)nc3c2)c1
InChIInChI=1S/C18H17N3O3/c1-11(22)19-14-4-3-5-15(10-14)21-18(23)9-13-6-7-17-16(8-13)20-12(2)24-17/h3-8,10H,9H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyQAMNZMCWWAARDL-UHFFFAOYSA-N
XLogP3.28
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 34303569
3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110794896
N-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390691
N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide
CID 110760599
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide
CID 110773772
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
2-(2-methyl-1,3-benzoxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110773886
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110773812
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 110773923
3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide
CID 110390639

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide (CID 110773893) is N-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide is CC(=O)Nc1cccc(NC(=O)Cc2ccc3oc(C)nc3c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is QAMNZMCWWAARDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11(22)19-14-4-3-5-15(10-14)21-18(23)9-13-6-7-17-16(8-13)20-12(2)24-17/h3-8,10H,9H2,1-2H3,(H,19,22)(H,21,23).
What are the key properties of N-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide?
N-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 110773893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).