6-[chloro-(2-methylcyclopentyl)methyl]-3H-1,3-benzoxazol-2-one

C14H16ClNO2 — CID 107182047

IUPAC6-[chloro-(2-methylcyclopentyl)methyl]-3H-1,3-benzoxazol-2-one
SMILESCC1CCCC1C(Cl)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H16ClNO2/c1-8-3-2-4-10(8)13(15)9-5-6-11-12(7-9)18-14(17)16-11/h5-8,10,13H,2-4H2,1H3,(H,16,17)
InChIKeyGZXPYTNZWDDHPM-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.84
Rot. Bonds2

About 6-[chloro-(2-methylcyclopentyl)methyl]-3H-1,3-benzoxazol-2-one

6-[chloro-(2-methylcyclopentyl)methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 107182047) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 6-[chloro-(2-methylcyclopentyl)methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[chloro-(2-methylcyclopentyl)methyl]-3H-1,3-benzoxazol-2-one
PubChem CID107182047
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name6-[chloro-(2-methylcyclopentyl)methyl]-3H-1,3-benzoxazol-2-one
SMILESCC1CCCC1C(Cl)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H16ClNO2/c1-8-3-2-4-10(8)13(15)9-5-6-11-12(7-9)18-14(17)16-11/h5-8,10,13H,2-4H2,1H3,(H,16,17)
InChIKeyGZXPYTNZWDDHPM-UHFFFAOYSA-N
XLogP3.84
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-1,3-benzoxazol-2(3H)-one
CID 322634
6-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-1,3-benzoxazol-2(3H)-one
CID 89555696
2-Benzoxazolinone, 6-benzyl-
CID 10632949
2(3H)-Benzoxazolone, 6-(2-phenylethyl)-
CID 3022237
2-Benzoxazolinone, 6-ethyl-
CID 12891148
2-Benzoxazolinone, 6-ethyl-3-methyl-
CID 13306084
6-[(2-fluorophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 473060
6-[(4-fluorophenyl)methyl]-3H-1,3-benzoxazol-2-one
CID 473061
6-pentyl-3H-1,3-benzoxazol-2-one
CID 10560176
6-propyl-3H-1,3-benzoxazol-2-one
CID 10821183
6-(Chloromethyl)-2,3-dihydro-1,3-benzoxazol-2-one
CID 15422982
6-(Chloromethyl)-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one
CID 15840729

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(2-methylcyclopentyl)methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[chloro-(2-methylcyclopentyl)methyl]-3H-1,3-benzoxazol-2-one (CID 107182047) is 6-[chloro-(2-methylcyclopentyl)methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[chloro-(2-methylcyclopentyl)methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[chloro-(2-methylcyclopentyl)methyl]-3H-1,3-benzoxazol-2-one is CC1CCCC1C(Cl)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-[chloro-(2-methylcyclopentyl)methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is GZXPYTNZWDDHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-8-3-2-4-10(8)13(15)9-5-6-11-12(7-9)18-14(17)16-11/h5-8,10,13H,2-4H2,1H3,(H,16,17).
What are the key properties of 6-[chloro-(2-methylcyclopentyl)methyl]-3H-1,3-benzoxazol-2-one?
6-[chloro-(2-methylcyclopentyl)methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 265.74 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(2-methylcyclopentyl)methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 107182047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).