(2R)-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

C18H20N4O4 — CID 126437438

IUPAC(2R)-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCn1c(=O)oc2cc(NC(=O)N3CCC[C@@H]3c3cc(C)no3)ccc21
InChIInChI=1S/C18H20N4O4/c1-3-21-14-7-6-12(10-15(14)25-18(21)24)19-17(23)22-8-4-5-13(22)16-9-11(2)20-26-16/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,19,23)/t13-/m1/s1
InChIKeyXMAIBRDXXNLZFO-CYBMUJFWSA-N
MW356.38 g/mol
LogP3.28
Rot. Bonds3

About (2R)-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

(2R)-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 126437438) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is (2R)-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID126437438
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name(2R)-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCn1c(=O)oc2cc(NC(=O)N3CCC[C@@H]3c3cc(C)no3)ccc21
InChIInChI=1S/C18H20N4O4/c1-3-21-14-7-6-12(10-15(14)25-18(21)24)19-17(23)22-8-4-5-13(22)16-9-11(2)20-26-16/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,19,23)/t13-/m1/s1
InChIKeyXMAIBRDXXNLZFO-CYBMUJFWSA-N
XLogP3.28
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(2R)-N-(3-chloro-4-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139024
N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 118780330
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 93070340
N-(1,3-benzodioxol-5-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 50947725
N-(1-ethylpyrazol-4-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 75461427
(2S)-N-(2-ethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139767
(2R)-2-(3-ethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
CID 95079867
(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-1-carboxamide
CID 94146473
(2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-prop-2-ynylpyrrolidine-1-carboxamide
CID 95976030
(2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94138869
(2S)-N-[(5-ethylthiophen-2-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94119106
(2S)-N-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139300

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 126437438) is (2R)-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is CCn1c(=O)oc2cc(NC(=O)N3CCC[C@@H]3c3cc(C)no3)ccc21.
What is the InChIKey of (2R)-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is XMAIBRDXXNLZFO-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-3-21-14-7-6-12(10-15(14)25-18(21)24)19-17(23)22-8-4-5-13(22)16-9-11(2)20-26-16/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,19,23)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
(2R)-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126437438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).