(4S)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C17H20N4O4 — CID 50851630

IUPAC(4S)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCOc1ccccc1CN1C(=O)OC[C@H]1C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C17H20N4O4/c1-24-15-5-3-2-4-12(15)9-21-14(10-25-17(21)23)16(22)19-7-6-13-8-18-11-20-13/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,18,20)(H,19,22)/t14-/m0/s1
InChIKeySIBOODFUMTVKMZ-AWEZNQCLSA-N
MW344.37 g/mol
LogP1.10
Rot. Bonds7

About (4S)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

(4S)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 50851630) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is (4S)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID50851630
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name(4S)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCOc1ccccc1CN1C(=O)OC[C@H]1C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C17H20N4O4/c1-24-15-5-3-2-4-12(15)9-21-14(10-25-17(21)23)16(22)19-7-6-13-8-18-11-20-13/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,18,20)(H,19,22)/t14-/m0/s1
InChIKeySIBOODFUMTVKMZ-AWEZNQCLSA-N
XLogP1.10
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-N-[(2-methoxyphenyl)methyl]-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851245
(4S)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-N-(2-pyridin-3-ylethyl)-1,3-oxazolidine-4-carboxamide
CID 50851650
N-[2-(1H-imidazol-5-yl)ethyl]-2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 99871290
(4S)-3-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851806
(3R)-N-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97142689
(4S)-3-[(3-cyanophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851221
N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 74249393
(2S,3R)-3-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxomorpholine-2-carboxamide
CID 134699254
(4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851924
N-[2-(1H-imidazol-5-yl)ethyl]-5-methyloxolane-3-carboxamide
CID 114826330
N-[2-(1H-imidazol-5-yl)ethyl]-2-[5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
CID 4900744
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 50851630) is (4S)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is COc1ccccc1CN1C(=O)OC[C@H]1C(=O)NCCc1cnc[nH]1.
What is the InChIKey of (4S)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is SIBOODFUMTVKMZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-24-15-5-3-2-4-12(15)9-21-14(10-25-17(21)23)16(22)19-7-6-13-8-18-11-20-13/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,18,20)(H,19,22)/t14-/m0/s1.
What are the key properties of (4S)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).