[2-[(2-chlorophenyl)methyl]-4,4-dimethyl-3-oxo-1,2-oxazolidin-5-yl]-methylcarbamic acid

C14H17ClN2O4 — CID 54103756

IUPAC[2-[(2-chlorophenyl)methyl]-4,4-dimethyl-3-oxo-1,2-oxazolidin-5-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1ON(Cc2ccccc2Cl)C(=O)C1(C)C
InChIInChI=1S/C14H17ClN2O4/c1-14(2)11(18)17(21-12(14)16(3)13(19)20)8-9-6-4-5-7-10(9)15/h4-7,12H,8H2,1-3H3,(H,19,20)
InChIKeyNCHQFDOWYUCARV-UHFFFAOYSA-N
MW312.75 g/mol
LogP2.58
Rot. Bonds3

About [2-[(2-chlorophenyl)methyl]-4,4-dimethyl-3-oxo-1,2-oxazolidin-5-yl]-methylcarbamic acid

[2-[(2-chlorophenyl)methyl]-4,4-dimethyl-3-oxo-1,2-oxazolidin-5-yl]-methylcarbamic acid (PubChem CID 54103756) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methyl]-4,4-dimethyl-3-oxo-1,2-oxazolidin-5-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methyl]-4,4-dimethyl-3-oxo-1,2-oxazolidin-5-yl]-methylcarbamic acid
PubChem CID54103756
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name[2-[(2-chlorophenyl)methyl]-4,4-dimethyl-3-oxo-1,2-oxazolidin-5-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1ON(Cc2ccccc2Cl)C(=O)C1(C)C
InChIInChI=1S/C14H17ClN2O4/c1-14(2)11(18)17(21-12(14)16(3)13(19)20)8-9-6-4-5-7-10(9)15/h4-7,12H,8H2,1-3H3,(H,19,20)
InChIKeyNCHQFDOWYUCARV-UHFFFAOYSA-N
XLogP2.58
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-but-3-enoxy-2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
CID 54172376
2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;ethanol
CID 175057356
N-[(2-chlorophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 44586596
2-[(2-chlorophenyl)methyl]-4,5-dimethyl-1,2,4-oxadiazolidin-3-one
CID 117061973
2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one;3,6-dichloro-2-methoxybenzoic acid
CID 121485128
N-benzyl-1-[(2-chlorophenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
CID 17369338
2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 115462653
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7809240
(5R)-3-[(2-chlorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580419
1-[(2-chlorophenyl)methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 117060733
2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1-phenylpyrazolidin-3-one
CID 134119722
1-(2-chlorophenyl)-N-methylmethanamine;cis-(1S,2R)-2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid
CID 172826584

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methyl]-4,4-dimethyl-3-oxo-1,2-oxazolidin-5-yl]-methylcarbamic acid?
The IUPAC name of [2-[(2-chlorophenyl)methyl]-4,4-dimethyl-3-oxo-1,2-oxazolidin-5-yl]-methylcarbamic acid (CID 54103756) is [2-[(2-chlorophenyl)methyl]-4,4-dimethyl-3-oxo-1,2-oxazolidin-5-yl]-methylcarbamic acid.
What is the SMILES notation for [2-[(2-chlorophenyl)methyl]-4,4-dimethyl-3-oxo-1,2-oxazolidin-5-yl]-methylcarbamic acid?
The canonical SMILES for [2-[(2-chlorophenyl)methyl]-4,4-dimethyl-3-oxo-1,2-oxazolidin-5-yl]-methylcarbamic acid is CN(C(=O)O)C1ON(Cc2ccccc2Cl)C(=O)C1(C)C.
What is the InChIKey of [2-[(2-chlorophenyl)methyl]-4,4-dimethyl-3-oxo-1,2-oxazolidin-5-yl]-methylcarbamic acid?
The InChIKey is NCHQFDOWYUCARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-14(2)11(18)17(21-12(14)16(3)13(19)20)8-9-6-4-5-7-10(9)15/h4-7,12H,8H2,1-3H3,(H,19,20).
What are the key properties of [2-[(2-chlorophenyl)methyl]-4,4-dimethyl-3-oxo-1,2-oxazolidin-5-yl]-methylcarbamic acid?
[2-[(2-chlorophenyl)methyl]-4,4-dimethyl-3-oxo-1,2-oxazolidin-5-yl]-methylcarbamic acid has a molecular weight of 312.75 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methyl]-4,4-dimethyl-3-oxo-1,2-oxazolidin-5-yl]-methylcarbamic acid is sourced from PubChem (CID 54103756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).