3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide

C18H17N3O3 — CID 110794896

IUPAC3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCc2ccc3oc(C)nc3c2)c1
InChIInChI=1S/C18H17N3O3/c1-11(22)20-15-5-3-4-14(9-15)18(23)19-10-13-6-7-17-16(8-13)21-12(2)24-17/h3-9H,10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyVIKJRANMFVSYEW-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.02
Rot. Bonds4

About 3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide

3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide (PubChem CID 110794896) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide
PubChem CID110794896
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCc2ccc3oc(C)nc3c2)c1
InChIInChI=1S/C18H17N3O3/c1-11(22)20-15-5-3-4-14(9-15)18(23)19-10-13-6-7-17-16(8-13)21-12(2)24-17/h3-9H,10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyVIKJRANMFVSYEW-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 110773893
1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-3-phenylurea
CID 110775538
4-(acetamidomethyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34304149
3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide
CID 110793351
5-bromo-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]furan-2-carboxamide
CID 110794899
3-acetamido-N-[(3-bromophenyl)methyl]benzamide
CID 127116055
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 110387930
3-acetyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786455
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110773812
3-acetamido-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 110793524
2-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1,3-benzoxazole-5-carboxamide
CID 71846258
2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide
CID 110786404

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide?
The IUPAC name of 3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide (CID 110794896) is 3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide is CC(=O)Nc1cccc(C(=O)NCc2ccc3oc(C)nc3c2)c1.
What is the InChIKey of 3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide?
The InChIKey is VIKJRANMFVSYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11(22)20-15-5-3-4-14(9-15)18(23)19-10-13-6-7-17-16(8-13)21-12(2)24-17/h3-9H,10H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide?
3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide has a molecular weight of 323.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 110794896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).