[1-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropyl]methyl N-tert-butyl-N-cyclopropylcarbamate

C22H30N2O5 — CID 123851267

IUPAC[1-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropyl]methyl N-tert-butyl-N-cyclopropylcarbamate
SMILESCC(C)(C)N(C(=O)OCC1(c2ccc(N3CC(CO)OC3=O)cc2)CC1)C1CC1
InChIInChI=1S/C22H30N2O5/c1-21(2,3)24(17-8-9-17)20(27)28-14-22(10-11-22)15-4-6-16(7-5-15)23-12-18(13-25)29-19(23)26/h4-7,17-18,25H,8-14H2,1-3H3
InChIKeyMNSCVAWQVZHJMH-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.44
Rot. Bonds6

About [1-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropyl]methyl N-tert-butyl-N-cyclopropylcarbamate

[1-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropyl]methyl N-tert-butyl-N-cyclopropylcarbamate (PubChem CID 123851267) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is [1-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropyl]methyl N-tert-butyl-N-cyclopropylcarbamate.

Molecular Properties

Compound Name[1-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropyl]methyl N-tert-butyl-N-cyclopropylcarbamate
PubChem CID123851267
Molecular FormulaC22H30N2O5
Molecular Weight402.49 g/mol
Exact Mass402.22
IUPAC Name[1-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropyl]methyl N-tert-butyl-N-cyclopropylcarbamate
SMILESCC(C)(C)N(C(=O)OCC1(c2ccc(N3CC(CO)OC3=O)cc2)CC1)C1CC1
InChIInChI=1S/C22H30N2O5/c1-21(2,3)24(17-8-9-17)20(27)28-14-22(10-11-22)15-4-6-16(7-5-15)23-12-18(13-25)29-19(23)26/h4-7,17-18,25H,8-14H2,1-3H3
InChIKeyMNSCVAWQVZHJMH-UHFFFAOYSA-N
XLogP3.44
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropyl]methyl N-tert-butyl-N-cyclopropylcarbamate with MolForge

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Related Compounds

4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid
CID 117063705
5-(hydroxymethyl)-3-[4-(methoxyamino)phenyl]-1,3-oxazolidin-2-one
CID 143663891
(5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 15591327
1-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
CID 23441457
3-[4-(3,3-difluoro-4,4-dimethoxypiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 69313146
(5R)-3-[4-(3-fluoro-4,4-dimethoxypiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 59754129
5-(hydroxymethyl)-3-(4-methylsulfinylphenyl)-1,3-oxazolidin-2-one
CID 13038088
3-(4-tert-butylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011629
5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 22014481
(5R)-3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 58756483
(5R)-5-(hydroxymethyl)-3-pyridin-4-yl-1,3-oxazolidin-2-one
CID 115056906
tert-butyl 1-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carboxylate
CID 11175563

Frequently Asked Questions

What is the IUPAC name of [1-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropyl]methyl N-tert-butyl-N-cyclopropylcarbamate?
The IUPAC name of [1-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropyl]methyl N-tert-butyl-N-cyclopropylcarbamate (CID 123851267) is [1-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropyl]methyl N-tert-butyl-N-cyclopropylcarbamate.
What is the SMILES notation for [1-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropyl]methyl N-tert-butyl-N-cyclopropylcarbamate?
The canonical SMILES for [1-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropyl]methyl N-tert-butyl-N-cyclopropylcarbamate is CC(C)(C)N(C(=O)OCC1(c2ccc(N3CC(CO)OC3=O)cc2)CC1)C1CC1.
What is the InChIKey of [1-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropyl]methyl N-tert-butyl-N-cyclopropylcarbamate?
The InChIKey is MNSCVAWQVZHJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5/c1-21(2,3)24(17-8-9-17)20(27)28-14-22(10-11-22)15-4-6-16(7-5-15)23-12-18(13-25)29-19(23)26/h4-7,17-18,25H,8-14H2,1-3H3.
What are the key properties of [1-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropyl]methyl N-tert-butyl-N-cyclopropylcarbamate?
[1-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropyl]methyl N-tert-butyl-N-cyclopropylcarbamate has a molecular weight of 402.49 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropyl]methyl N-tert-butyl-N-cyclopropylcarbamate is sourced from PubChem (CID 123851267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).