N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide

C19H20N2O2 — CID 875934

IUPACN-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(-c2nc3cc(C)c(C)cc3o2)c1
InChIInChI=1S/C19H20N2O2/c1-4-6-18(22)20-15-8-5-7-14(11-15)19-21-16-9-12(2)13(3)10-17(16)23-19/h5,7-11H,4,6H2,1-3H3,(H,20,22)
InChIKeyDLLPLPZPRXRETP-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.85
Rot. Bonds4

About N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide

N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide (PubChem CID 875934) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide
PubChem CID875934
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(-c2nc3cc(C)c(C)cc3o2)c1
InChIInChI=1S/C19H20N2O2/c1-4-6-18(22)20-15-8-5-7-14(11-15)19-21-16-9-12(2)13(3)10-17(16)23-19/h5,7-11H,4,6H2,1-3H3,(H,20,22)
InChIKeyDLLPLPZPRXRETP-UHFFFAOYSA-N
XLogP4.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70039
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L 697639
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Benzoxazole, 2,2'-(1,2-ethenediyl)bis(5-methyl-
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Frequently Asked Questions

What is the IUPAC name of N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide?
The IUPAC name of N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide (CID 875934) is N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide.
What is the SMILES notation for N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide?
The canonical SMILES for N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide is CCCC(=O)Nc1cccc(-c2nc3cc(C)c(C)cc3o2)c1.
What is the InChIKey of N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide?
The InChIKey is DLLPLPZPRXRETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-4-6-18(22)20-15-8-5-7-14(11-15)19-21-16-9-12(2)13(3)10-17(16)23-19/h5,7-11H,4,6H2,1-3H3,(H,20,22).
What are the key properties of N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide?
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide has a molecular weight of 308.38 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide is sourced from PubChem (CID 875934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).