N-(6-acetamido-1,3-benzoxazol-2-yl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide

C21H23N3O4 — CID 40607430

IUPACN-(6-acetamido-1,3-benzoxazol-2-yl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide
SMILESCC[C@H](C)c1ccc(OCC(=O)Nc2nc3ccc(NC(C)=O)cc3o2)cc1
InChIInChI=1S/C21H23N3O4/c1-4-13(2)15-5-8-17(9-6-15)27-12-20(26)24-21-23-18-10-7-16(22-14(3)25)11-19(18)28-21/h5-11,13H,4,12H2,1-3H3,(H,22,25)(H,23,24,26)/t13-/m0/s1
InChIKeyULKMGNZBRGNDGR-ZDUSSCGKSA-N
MW381.43 g/mol
LogP4.32
Rot. Bonds7

About N-(6-acetamido-1,3-benzoxazol-2-yl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide

N-(6-acetamido-1,3-benzoxazol-2-yl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide (PubChem CID 40607430) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzoxazol-2-yl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzoxazol-2-yl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide
PubChem CID40607430
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-(6-acetamido-1,3-benzoxazol-2-yl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide
SMILESCC[C@H](C)c1ccc(OCC(=O)Nc2nc3ccc(NC(C)=O)cc3o2)cc1
InChIInChI=1S/C21H23N3O4/c1-4-13(2)15-5-8-17(9-6-15)27-12-20(26)24-21-23-18-10-7-16(22-14(3)25)11-19(18)28-21/h5-11,13H,4,12H2,1-3H3,(H,22,25)(H,23,24,26)/t13-/m0/s1
InChIKeyULKMGNZBRGNDGR-ZDUSSCGKSA-N
XLogP4.32
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-acetamido-1,3-benzoxazol-2-yl)-2-(4-tert-butylphenoxy)acetamide
CID 40603845
2-(4-butan-2-ylphenoxy)-N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 22782315
N-(2-acetamido-1,3-benzoxazol-6-yl)acetamide
CID 952763
N-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 110729012
2-(4-butan-2-ylphenoxy)-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 21167958
2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 22776102
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
N-[6-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]butanamide
CID 22778343
2-(4-butan-2-ylphenoxy)-N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 22782318

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzoxazol-2-yl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide?
The IUPAC name of N-(6-acetamido-1,3-benzoxazol-2-yl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide (CID 40607430) is N-(6-acetamido-1,3-benzoxazol-2-yl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzoxazol-2-yl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide?
The canonical SMILES for N-(6-acetamido-1,3-benzoxazol-2-yl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide is CC[C@H](C)c1ccc(OCC(=O)Nc2nc3ccc(NC(C)=O)cc3o2)cc1.
What is the InChIKey of N-(6-acetamido-1,3-benzoxazol-2-yl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide?
The InChIKey is ULKMGNZBRGNDGR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-4-13(2)15-5-8-17(9-6-15)27-12-20(26)24-21-23-18-10-7-16(22-14(3)25)11-19(18)28-21/h5-11,13H,4,12H2,1-3H3,(H,22,25)(H,23,24,26)/t13-/m0/s1.
What are the key properties of N-(6-acetamido-1,3-benzoxazol-2-yl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide?
N-(6-acetamido-1,3-benzoxazol-2-yl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide has a molecular weight of 381.43 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzoxazol-2-yl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide is sourced from PubChem (CID 40607430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).