3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide

C19H19N3O3 — CID 46401870

IUPAC3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc3oc(C(C)C)nc3c2)c1
InChIInChI=1S/C19H19N3O3/c1-11(2)19-22-16-10-15(7-8-17(16)25-19)21-18(24)13-5-4-6-14(9-13)20-12(3)23/h4-11H,1-3H3,(H,20,23)(H,21,24)
InChIKeyHIKUZLPRRJPNQL-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.16
Rot. Bonds4

About 3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide

3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 46401870) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
PubChem CID46401870
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2ccc3oc(C(C)C)nc3c2)c1
InChIInChI=1S/C19H19N3O3/c1-11(2)19-22-16-10-15(7-8-17(16)25-19)21-18(24)13-5-4-6-14(9-13)20-12(3)23/h4-11H,1-3H3,(H,20,23)(H,21,24)
InChIKeyHIKUZLPRRJPNQL-UHFFFAOYSA-N
XLogP4.16
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424516
3-(2-oxo-1,3-oxazolidin-3-yl)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 60509207
N-(3-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089494
4-[(2-methylcyclopropanecarbonyl)amino]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46460476
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-4-(tetrazol-1-yl)benzamide
CID 47026774
5-bromo-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 60509237
N-(4-methoxyphenyl)-2-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 53089495
2-ethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401841
2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 60843076
2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide
CID 43711177
N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 55620257
3-methyl-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127491

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide (CID 46401870) is 3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide is CC(=O)Nc1cccc(C(=O)Nc2ccc3oc(C(C)C)nc3c2)c1.
What is the InChIKey of 3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is HIKUZLPRRJPNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-11(2)19-22-16-10-15(7-8-17(16)25-19)21-18(24)13-5-4-6-14(9-13)20-12(3)23/h4-11H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide?
3-acetamido-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 337.38 g/mol, XLogP of 4.16, 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-propan-2-yl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 46401870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).