N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide

C19H20N2O2 — CID 2871846

IUPACN-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1
InChIInChI=1S/C19H20N2O2/c1-4-5-18(22)20-15-8-6-14(7-9-15)19-21-16-10-12(2)13(3)11-17(16)23-19/h6-11H,4-5H2,1-3H3,(H,20,22)
InChIKeyRLXFVCHMJWTARW-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.85
Rot. Bonds4

About N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide

N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide (PubChem CID 2871846) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide
PubChem CID2871846
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1
InChIInChI=1S/C19H20N2O2/c1-4-5-18(22)20-15-8-6-14(7-9-15)19-21-16-10-12(2)13(3)11-17(16)23-19/h6-11H,4-5H2,1-3H3,(H,20,22)
InChIKeyRLXFVCHMJWTARW-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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Benzenamine, 4-(2-benzoxazolyl)-
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Benzoxazole, 2-(phenylmethyl)-
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Benzoxazole, 2-phenyl-
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2-p-Tolylbenzoxazole
CID 70039
2-(4-Aminophenyl)benzoxazol-5-amine
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L 697639
CID 60832
L 696229
CID 72352
Benzoxazole, 2,2'-(1,2-ethenediyl)bis(5-methyl-
CID 5332173

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide?
The IUPAC name of N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide (CID 2871846) is N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide.
What is the SMILES notation for N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide?
The canonical SMILES for N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide is CCCC(=O)Nc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1.
What is the InChIKey of N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide?
The InChIKey is RLXFVCHMJWTARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-4-5-18(22)20-15-8-6-14(7-9-15)19-21-16-10-12(2)13(3)11-17(16)23-19/h6-11H,4-5H2,1-3H3,(H,20,22).
What are the key properties of N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide?
N-[4-(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-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]butanamide is sourced from PubChem (CID 2871846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).