N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-2-chloro-N-(cyclopent-2-en-1-ylmethyl)acetamide

C16H23ClN2O2 — CID 166424338

IUPACN-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-2-chloro-N-(cyclopent-2-en-1-ylmethyl)acetamide
SMILESCC(C)(C)c1ncc(CN(CC2C=CCC2)C(=O)CCl)o1
InChIInChI=1S/C16H23ClN2O2/c1-16(2,3)15-18-9-13(21-15)11-19(14(20)8-17)10-12-6-4-5-7-12/h4,6,9,12H,5,7-8,10-11H2,1-3H3
InChIKeyFSSWPYLXFOJDIA-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.51
Rot. Bonds5

About N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-2-chloro-N-(cyclopent-2-en-1-ylmethyl)acetamide

N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-2-chloro-N-(cyclopent-2-en-1-ylmethyl)acetamide (PubChem CID 166424338) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-2-chloro-N-(cyclopent-2-en-1-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-2-chloro-N-(cyclopent-2-en-1-ylmethyl)acetamide
PubChem CID166424338
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC NameN-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-2-chloro-N-(cyclopent-2-en-1-ylmethyl)acetamide
SMILESCC(C)(C)c1ncc(CN(CC2C=CCC2)C(=O)CCl)o1
InChIInChI=1S/C16H23ClN2O2/c1-16(2,3)15-18-9-13(21-15)11-19(14(20)8-17)10-12-6-4-5-7-12/h4,6,9,12H,5,7-8,10-11H2,1-3H3
InChIKeyFSSWPYLXFOJDIA-UHFFFAOYSA-N
XLogP3.51
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-5-(2,2-dimethylpropyl)-1,3-oxazole
CID 118391801
propan-2-yl N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-N-(propan-2-yloxycarbonylamino)carbamate
CID 102289136
2-chloro-N-(cyclohex-3-en-1-ylmethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
CID 154880279
2-tert-butyl-5-(methoxymethyl)-1,3-oxazole
CID 57110419
N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide
CID 166403801
2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-(oxan-4-ylmethyl)acetamide
CID 166415499
2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 51382690
2,2,2-trichloro-N-[[(1S)-cyclopent-2-en-1-yl]methyl]acetamide
CID 101149800
2-cyclopent-2-en-1-yl-N-cyclopropyl-N-(furan-2-ylmethyl)acetamide
CID 47022974
3-[(2-cyclopent-2-en-1-ylacetyl)-ethylamino]propanoic acid
CID 61007987
5-(chloromethyl)-2-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole
CID 164658928
2-chloro-N-(furan-2-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 166415332

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-2-chloro-N-(cyclopent-2-en-1-ylmethyl)acetamide?
The IUPAC name of N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-2-chloro-N-(cyclopent-2-en-1-ylmethyl)acetamide (CID 166424338) is N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-2-chloro-N-(cyclopent-2-en-1-ylmethyl)acetamide.
What is the SMILES notation for N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-2-chloro-N-(cyclopent-2-en-1-ylmethyl)acetamide?
The canonical SMILES for N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-2-chloro-N-(cyclopent-2-en-1-ylmethyl)acetamide is CC(C)(C)c1ncc(CN(CC2C=CCC2)C(=O)CCl)o1.
What is the InChIKey of N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-2-chloro-N-(cyclopent-2-en-1-ylmethyl)acetamide?
The InChIKey is FSSWPYLXFOJDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-16(2,3)15-18-9-13(21-15)11-19(14(20)8-17)10-12-6-4-5-7-12/h4,6,9,12H,5,7-8,10-11H2,1-3H3.
What are the key properties of N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-2-chloro-N-(cyclopent-2-en-1-ylmethyl)acetamide?
N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-2-chloro-N-(cyclopent-2-en-1-ylmethyl)acetamide has a molecular weight of 310.83 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-2-chloro-N-(cyclopent-2-en-1-ylmethyl)acetamide is sourced from PubChem (CID 166424338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).