N-[[2-(4-nitrophenyl)-1,3-oxazol-4-yl]methoxy]cyclopentanecarboxamide

C16H17N3O5 — CID 75392456

IUPACN-[[2-(4-nitrophenyl)-1,3-oxazol-4-yl]methoxy]cyclopentanecarboxamide
SMILESO=C(NOCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1
InChIInChI=1S/C16H17N3O5/c20-15(11-3-1-2-4-11)18-24-10-13-9-23-16(17-13)12-5-7-14(8-6-12)19(21)22/h5-9,11H,1-4,10H2,(H,18,20)
InChIKeyJOYHQIPVFCELHY-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.99
Rot. Bonds6

About N-[[2-(4-nitrophenyl)-1,3-oxazol-4-yl]methoxy]cyclopentanecarboxamide

N-[[2-(4-nitrophenyl)-1,3-oxazol-4-yl]methoxy]cyclopentanecarboxamide (PubChem CID 75392456) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-[[2-(4-nitrophenyl)-1,3-oxazol-4-yl]methoxy]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[2-(4-nitrophenyl)-1,3-oxazol-4-yl]methoxy]cyclopentanecarboxamide
PubChem CID75392456
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC NameN-[[2-(4-nitrophenyl)-1,3-oxazol-4-yl]methoxy]cyclopentanecarboxamide
SMILESO=C(NOCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1
InChIInChI=1S/C16H17N3O5/c20-15(11-3-1-2-4-11)18-24-10-13-9-23-16(17-13)12-5-7-14(8-6-12)19(21)22/h5-9,11H,1-4,10H2,(H,18,20)
InChIKeyJOYHQIPVFCELHY-UHFFFAOYSA-N
XLogP2.99
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(2-phenyl-1,3-oxazol-4-yl)methyl 4-nitrobenzoate
CID 18126093
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate
CID 55538994
4-[(4-nitrophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 18171386
[2-(4-nitroanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 8020396
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-cyclopentylacetate
CID 55538335
4-[(1-ethylpyrazol-4-yl)oxymethyl]-2-(4-nitrophenyl)-1,3-oxazole
CID 99839177
N-[(4-nitrophenyl)carbamothioyl]cyclopentanecarboxamide
CID 4924453
(2-phenyl-1,3-oxazol-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate
CID 18194096
N-[(4-nitrophenyl)carbamothioyl]cyclohexanecarboxamide
CID 3335172
2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid
CID 16771086
N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide
CID 2931199
4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 60848648

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-nitrophenyl)-1,3-oxazol-4-yl]methoxy]cyclopentanecarboxamide?
The IUPAC name of N-[[2-(4-nitrophenyl)-1,3-oxazol-4-yl]methoxy]cyclopentanecarboxamide (CID 75392456) is N-[[2-(4-nitrophenyl)-1,3-oxazol-4-yl]methoxy]cyclopentanecarboxamide.
What is the SMILES notation for N-[[2-(4-nitrophenyl)-1,3-oxazol-4-yl]methoxy]cyclopentanecarboxamide?
The canonical SMILES for N-[[2-(4-nitrophenyl)-1,3-oxazol-4-yl]methoxy]cyclopentanecarboxamide is O=C(NOCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1.
What is the InChIKey of N-[[2-(4-nitrophenyl)-1,3-oxazol-4-yl]methoxy]cyclopentanecarboxamide?
The InChIKey is JOYHQIPVFCELHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c20-15(11-3-1-2-4-11)18-24-10-13-9-23-16(17-13)12-5-7-14(8-6-12)19(21)22/h5-9,11H,1-4,10H2,(H,18,20).
What are the key properties of N-[[2-(4-nitrophenyl)-1,3-oxazol-4-yl]methoxy]cyclopentanecarboxamide?
N-[[2-(4-nitrophenyl)-1,3-oxazol-4-yl]methoxy]cyclopentanecarboxamide has a molecular weight of 331.33 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-nitrophenyl)-1,3-oxazol-4-yl]methoxy]cyclopentanecarboxamide is sourced from PubChem (CID 75392456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).