3-methyl-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide

C27H23N3O3 — CID 71662079

IUPAC3-methyl-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide
SMILESCC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C27H23N3O3/c1-17(2)25(32-23-9-5-7-18-6-3-4-8-21(18)23)26(31)29-20-10-11-24-22(16-20)30-27(33-24)19-12-14-28-15-13-19/h3-17,25H,1-2H3,(H,29,31)
InChIKeyVIIHAWVNRZJWJG-UHFFFAOYSA-N
MW437.50 g/mol
LogP6.09
Rot. Bonds6

About 3-methyl-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide

3-methyl-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide (PubChem CID 71662079) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-methyl-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide.

Molecular Properties

Compound Name3-methyl-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide
PubChem CID71662079
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name3-methyl-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide
SMILESCC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C27H23N3O3/c1-17(2)25(32-23-9-5-7-18-6-3-4-8-21(18)23)26(31)29-20-10-11-24-22(16-20)30-27(33-24)19-12-14-28-15-13-19/h3-17,25H,1-2H3,(H,29,31)
InChIKeyVIIHAWVNRZJWJG-UHFFFAOYSA-N
XLogP6.09
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide?
The IUPAC name of 3-methyl-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide (CID 71662079) is 3-methyl-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide.
What is the SMILES notation for 3-methyl-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide?
The canonical SMILES for 3-methyl-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide is CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1.
What is the InChIKey of 3-methyl-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide?
The InChIKey is VIIHAWVNRZJWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-17(2)25(32-23-9-5-7-18-6-3-4-8-21(18)23)26(31)29-20-10-11-24-22(16-20)30-27(33-24)19-12-14-28-15-13-19/h3-17,25H,1-2H3,(H,29,31).
What are the key properties of 3-methyl-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide?
3-methyl-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide has a molecular weight of 437.50 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-naphthalen-1-yloxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)butanamide is sourced from PubChem (CID 71662079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).