(4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide

C16H19N5O3 — CID 50851673

IUPAC(4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide
SMILESCn1ccnc1CN1C(=O)OC[C@H]1C(=O)NCCc1ccccn1
InChIInChI=1S/C16H19N5O3/c1-20-9-8-18-14(20)10-21-13(11-24-16(21)23)15(22)19-7-5-12-4-2-3-6-17-12/h2-4,6,8-9,13H,5,7,10-11H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyYPYHHQANBCBVBY-ZDUSSCGKSA-N
MW329.36 g/mol
LogP0.49
Rot. Bonds6

About (4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide

(4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 50851673) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide
PubChem CID50851673
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name(4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide
SMILESCn1ccnc1CN1C(=O)OC[C@H]1C(=O)NCCc1ccccn1
InChIInChI=1S/C16H19N5O3/c1-20-9-8-18-14(20)10-21-13(11-24-16(21)23)15(22)19-7-5-12-4-2-3-6-17-12/h2-4,6,8-9,13H,5,7,10-11H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyYPYHHQANBCBVBY-ZDUSSCGKSA-N
XLogP0.49
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide
CID 50851690
(4S)-N-(2-methoxyethyl)-2-oxo-3-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851159
4-[[(4S)-2-oxo-4-(pyridin-2-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoic acid
CID 50851250
(4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851924
(4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851331
(4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide
CID 50851820
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
4-(methylamino)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide
CID 66265963
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride
CID 119827893
3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744624
tert-butyl (4R)-4-(2-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 94821463

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide (CID 50851673) is (4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide is Cn1ccnc1CN1C(=O)OC[C@H]1C(=O)NCCc1ccccn1.
What is the InChIKey of (4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide?
The InChIKey is YPYHHQANBCBVBY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-20-9-8-18-14(20)10-21-13(11-24-16(21)23)15(22)19-7-5-12-4-2-3-6-17-12/h2-4,6,8-9,13H,5,7,10-11H2,1H3,(H,19,22)/t13-/m0/s1.
What are the key properties of (4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide?
(4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-(2-pyridin-2-ylethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).