N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[2-[(2S)-butan-2-yl]phenoxy]acetamide

C25H24N2O3 — CID 7315892

IUPACN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[2-[(2S)-butan-2-yl]phenoxy]acetamide
SMILESCC[C@H](C)c1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C25H24N2O3/c1-3-17(2)20-11-4-6-13-22(20)29-16-24(28)26-19-10-8-9-18(15-19)25-27-21-12-5-7-14-23(21)30-25/h4-15,17H,3,16H2,1-2H3,(H,26,28)/t17-/m0/s1
InChIKeyTVCFZFCPGKFBDO-KRWDZBQOSA-N
MW400.48 g/mol
LogP6.03
Rot. Bonds7

About N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[2-[(2S)-butan-2-yl]phenoxy]acetamide

N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[2-[(2S)-butan-2-yl]phenoxy]acetamide (PubChem CID 7315892) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[2-[(2S)-butan-2-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[2-[(2S)-butan-2-yl]phenoxy]acetamide
PubChem CID7315892
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[2-[(2S)-butan-2-yl]phenoxy]acetamide
SMILESCC[C@H](C)c1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C25H24N2O3/c1-3-17(2)20-11-4-6-13-22(20)29-16-24(28)26-19-10-8-9-18(15-19)25-27-21-12-5-7-14-23(21)30-25/h4-15,17H,3,16H2,1-2H3,(H,26,28)/t17-/m0/s1
InChIKeyTVCFZFCPGKFBDO-KRWDZBQOSA-N
XLogP6.03
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 16581002
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 1364193
2-(2-butan-2-ylphenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 55826048
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 27235913
2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154653
2-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamoylamino]-3-methylpentanoic acid
CID 4906817
2-(2-nitrophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 23827426
(2R)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-phenylbutanamide
CID 2203697
2-(4-butan-2-ylphenoxy)-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 21167958
(2S)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-fluorophenoxy)propanamide
CID 42280167
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 922510
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 23761603

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[2-[(2S)-butan-2-yl]phenoxy]acetamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[2-[(2S)-butan-2-yl]phenoxy]acetamide (CID 7315892) is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[2-[(2S)-butan-2-yl]phenoxy]acetamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[2-[(2S)-butan-2-yl]phenoxy]acetamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[2-[(2S)-butan-2-yl]phenoxy]acetamide is CC[C@H](C)c1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[2-[(2S)-butan-2-yl]phenoxy]acetamide?
The InChIKey is TVCFZFCPGKFBDO-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-3-17(2)20-11-4-6-13-22(20)29-16-24(28)26-19-10-8-9-18(15-19)25-27-21-12-5-7-14-23(21)30-25/h4-15,17H,3,16H2,1-2H3,(H,26,28)/t17-/m0/s1.
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[2-[(2S)-butan-2-yl]phenoxy]acetamide?
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[2-[(2S)-butan-2-yl]phenoxy]acetamide has a molecular weight of 400.48 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[2-[(2S)-butan-2-yl]phenoxy]acetamide is sourced from PubChem (CID 7315892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).