N-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide

C22H23N3O3 — CID 71890231

IUPACN-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C22H23N3O3/c26-21(15-19-18-7-3-4-8-20(18)28-24-19)23-17-11-9-16(10-12-17)22(27)25-13-5-1-2-6-14-25/h3-4,7-12H,1-2,5-6,13-15H2,(H,23,26)
InChIKeyJIXAZDLNXGAFTJ-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.03
Rot. Bonds4

About N-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide

N-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide (PubChem CID 71890231) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide
PubChem CID71890231
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide
SMILESO=C(Cc1noc2ccccc12)Nc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C22H23N3O3/c26-21(15-19-18-7-3-4-8-20(18)28-24-19)23-17-11-9-16(10-12-17)22(27)25-13-5-1-2-6-14-25/h3-4,7-12H,1-2,5-6,13-15H2,(H,23,26)
InChIKeyJIXAZDLNXGAFTJ-UHFFFAOYSA-N
XLogP4.03
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9068927
N-[4-[4-(1,2-benzoxazol-3-ylmethyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 50822575
2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 35148080
2-(5,6-dimethyl-1,2-benzoxazol-3-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 108741140
2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 9180265
2-(1,2-benzoxazol-3-yl)-N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 50944530
2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32605703
2-(1,2-benzoxazol-3-yl)-1-[4-(4-ethylbenzoyl)piperazin-1-yl]ethanone
CID 33168189
2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide
CID 9206772
4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9270620
2-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 6468250
2-(1,2-benzoxazol-3-yl)-N-(1-tert-butylpyrazol-4-yl)acetamide
CID 86860516

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide (CID 71890231) is N-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide is O=C(Cc1noc2ccccc12)Nc1ccc(C(=O)N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide?
The InChIKey is JIXAZDLNXGAFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-21(15-19-18-7-3-4-8-20(18)28-24-19)23-17-11-9-16(10-12-17)22(27)25-13-5-1-2-6-14-25/h3-4,7-12H,1-2,5-6,13-15H2,(H,23,26).
What are the key properties of N-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide?
N-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide has a molecular weight of 377.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 71890231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).