N-(3-cyclopentyloxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide

C20H19N3O6 — CID 55563967

IUPACN-(3-cyclopentyloxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc(OC2CCCC2)c1
InChIInChI=1S/C20H19N3O6/c24-19(21-13-4-3-7-16(10-13)28-15-5-1-2-6-15)12-22-17-9-8-14(23(26)27)11-18(17)29-20(22)25/h3-4,7-11,15H,1-2,5-6,12H2,(H,21,24)
InChIKeyLSROOVLGTUKVAE-UHFFFAOYSA-N
MW397.39 g/mol
LogP3.46
Rot. Bonds6

About N-(3-cyclopentyloxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(3-cyclopentyloxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 55563967) has the molecular formula C20H19N3O6 and a molecular weight of 397.39 g/mol. Its IUPAC name is N-(3-cyclopentyloxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID55563967
Molecular FormulaC20H19N3O6
Molecular Weight397.39 g/mol
Exact Mass397.13
IUPAC NameN-(3-cyclopentyloxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc(OC2CCCC2)c1
InChIInChI=1S/C20H19N3O6/c24-19(21-13-4-3-7-16(10-13)28-15-5-1-2-6-15)12-22-17-9-8-14(23(26)27)11-18(17)29-20(22)25/h3-4,7-11,15H,1-2,5-6,12H2,(H,21,24)
InChIKeyLSROOVLGTUKVAE-UHFFFAOYSA-N
XLogP3.46
TPSA116.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55363066
cyclohexyl 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 60562465
N-(4-methoxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9402501
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55363165
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 31871617
N-(4-bromophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9400129
N-[(1S,2R)-2-methylcyclohexyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9427764
N-cyclopropyl-3-[[2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 32892171
ethyl 1-[3-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]phenyl]pyrazole-3-carboxylate
CID 55688425
2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-piperidin-1-ylacetamide
CID 9271920
N-cyclopropyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 55366968
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55993523

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(3-cyclopentyloxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 55563967) is N-(3-cyclopentyloxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(3-cyclopentyloxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(3-cyclopentyloxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc(OC2CCCC2)c1.
What is the InChIKey of N-(3-cyclopentyloxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is LSROOVLGTUKVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O6/c24-19(21-13-4-3-7-16(10-13)28-15-5-1-2-6-15)12-22-17-9-8-14(23(26)27)11-18(17)29-20(22)25/h3-4,7-11,15H,1-2,5-6,12H2,(H,21,24).
What are the key properties of N-(3-cyclopentyloxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(3-cyclopentyloxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 397.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxyphenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 55563967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).