3-methoxy-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide

C27H22N2O3 — CID 2263244

IUPAC3-methoxy-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1cccc(-c2nc3cc(C)ccc3o2)c1C
InChIInChI=1S/C27H22N2O3/c1-16-11-12-24-23(13-16)29-27(32-24)20-9-6-10-22(17(20)2)28-26(30)21-14-18-7-4-5-8-19(18)15-25(21)31-3/h4-15H,1-3H3,(H,28,30)
InChIKeyUVZPKMZYWCTTHS-UHFFFAOYSA-N
MW422.48 g/mol
LogP6.53
Rot. Bonds4

About 3-methoxy-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide

3-methoxy-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide (PubChem CID 2263244) has the molecular formula C27H22N2O3 and a molecular weight of 422.48 g/mol. Its IUPAC name is 3-methoxy-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
PubChem CID2263244
Molecular FormulaC27H22N2O3
Molecular Weight422.48 g/mol
Exact Mass422.16
IUPAC Name3-methoxy-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1cccc(-c2nc3cc(C)ccc3o2)c1C
InChIInChI=1S/C27H22N2O3/c1-16-11-12-24-23(13-16)29-27(32-24)20-9-6-10-22(17(20)2)28-26(30)21-14-18-7-4-5-8-19(18)15-25(21)31-3/h4-15H,1-3H3,(H,28,30)
InChIKeyUVZPKMZYWCTTHS-UHFFFAOYSA-N
XLogP6.53
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide (CID 2263244) is 3-methoxy-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1cccc(-c2nc3cc(C)ccc3o2)c1C.
What is the InChIKey of 3-methoxy-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide?
The InChIKey is UVZPKMZYWCTTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3/c1-16-11-12-24-23(13-16)29-27(32-24)20-9-6-10-22(17(20)2)28-26(30)21-14-18-7-4-5-8-19(18)15-25(21)31-3/h4-15H,1-3H3,(H,28,30).
What are the key properties of 3-methoxy-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide?
3-methoxy-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 2263244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).