4-butan-2-yloxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide

C25H24N2O4 — CID 17092655

IUPAC4-butan-2-yloxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1
InChIInChI=1S/C25H24N2O4/c1-4-16(2)30-20-11-8-17(9-12-20)24(28)26-19-10-13-23-22(15-19)27-25(31-23)18-6-5-7-21(14-18)29-3/h5-16H,4H2,1-3H3,(H,26,28)
InChIKeyXWDQKGYSVBGXJW-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.93
Rot. Bonds7

About 4-butan-2-yloxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide

4-butan-2-yloxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 17092655) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID17092655
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name4-butan-2-yloxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1
InChIInChI=1S/C25H24N2O4/c1-4-16(2)30-20-11-8-17(9-12-20)24(28)26-19-10-13-23-22(15-19)27-25(31-23)18-6-5-7-21(14-18)29-3/h5-16H,4H2,1-3H3,(H,26,28)
InChIKeyXWDQKGYSVBGXJW-UHFFFAOYSA-N
XLogP5.93
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-butan-2-yl]oxy-N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]benzamide
CID 39361653
3-[(2S)-butan-2-yl]oxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 40864969
N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-butan-2-yloxybenzamide
CID 3729194
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 953822
4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 1326852
4-propan-2-yloxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 1397151
4-ethyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 29243131
4-[(2S)-butan-2-yl]oxy-N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 41187844
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide
CID 1015710
4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384
2-(4-methoxyphenoxy)-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17092669
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide
CID 1100251

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 4-butan-2-yloxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide (CID 17092655) is 4-butan-2-yloxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 4-butan-2-yloxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 4-butan-2-yloxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide is CCC(C)Oc1ccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1.
What is the InChIKey of 4-butan-2-yloxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is XWDQKGYSVBGXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-4-16(2)30-20-11-8-17(9-12-20)24(28)26-19-10-13-23-22(15-19)27-25(31-23)18-6-5-7-21(14-18)29-3/h5-16H,4H2,1-3H3,(H,26,28).
What are the key properties of 4-butan-2-yloxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide?
4-butan-2-yloxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 416.48 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 17092655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).