benzyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate

C14H18N2O4 — CID 11346476

IUPACbenzyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate
SMILESCC(C)[C@@H]1COC(=O)N1NC(=O)OCc1ccccc1
InChIInChI=1S/C14H18N2O4/c1-10(2)12-9-20-14(18)16(12)15-13(17)19-8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyVGDKOUNRKOGSEY-LBPRGKRZSA-N
MW278.31 g/mol
LogP2.30
Rot. Bonds4

About benzyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate

benzyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate (PubChem CID 11346476) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is benzyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate
PubChem CID11346476
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namebenzyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate
SMILESCC(C)[C@@H]1COC(=O)N1NC(=O)OCc1ccccc1
InChIInChI=1S/C14H18N2O4/c1-10(2)12-9-20-14(18)16(12)15-13(17)19-8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyVGDKOUNRKOGSEY-LBPRGKRZSA-N
XLogP2.30
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-oxo-1-(phenylmethoxycarbonylamino)azetidine-2-carboxylate
CID 70468234
benzyl 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylate
CID 10384724
methyl (4S,5R)-4-benzyl-2-oxo-3-(phenylmethoxycarbonylamino)-1,3-oxazolidine-5-carboxylate
CID 101166780
tert-butyl (4R)-2-oxo-4-(phenylmethoxycarbonylamino)-1,3-oxazolidine-3-carboxylate
CID 10759288
(3R)-2,3-dibenzyl-1,4-bis[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butane-1,4-dione
CID 134462003
(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134835001
(4R)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11010755
(4S)-3-[(2S)-2-methyl-2-(phenylmethoxymethyl)but-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101068861
benzyl N-[1-(oxetan-3-yl)ethyl]carbamate
CID 144719196
benzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
CID 138980716
benzyl N-[4-[(2S,3S,4S)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentyl]phenyl]carbamate
CID 90338250
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate?
The IUPAC name of benzyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate (CID 11346476) is benzyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate is CC(C)[C@@H]1COC(=O)N1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate?
The InChIKey is VGDKOUNRKOGSEY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10(2)12-9-20-14(18)16(12)15-13(17)19-8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,17)/t12-/m0/s1.
What are the key properties of benzyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate?
benzyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate has a molecular weight of 278.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate is sourced from PubChem (CID 11346476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).