(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-oxomorpholine-2-carboxamide

C19H21N3O5 — CID 134705128

IUPAC(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-oxomorpholine-2-carboxamide
SMILESCOc1ccc([C@@H]2[C@@H](C(=O)NCc3ccon3)OCC(=O)N2C2CC2)cc1
InChIInChI=1S/C19H21N3O5/c1-25-15-6-2-12(3-7-15)17-18(19(24)20-10-13-8-9-27-21-13)26-11-16(23)22(17)14-4-5-14/h2-3,6-9,14,17-18H,4-5,10-11H2,1H3,(H,20,24)/t17-,18+/m1/s1
InChIKeyQCXKPTKWPATCAP-MSOLQXFVSA-N
MW371.39 g/mol
LogP1.43
Rot. Bonds6

About (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-oxomorpholine-2-carboxamide

(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-oxomorpholine-2-carboxamide (PubChem CID 134705128) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-oxomorpholine-2-carboxamide
PubChem CID134705128
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-oxomorpholine-2-carboxamide
SMILESCOc1ccc([C@@H]2[C@@H](C(=O)NCc3ccon3)OCC(=O)N2C2CC2)cc1
InChIInChI=1S/C19H21N3O5/c1-25-15-6-2-12(3-7-15)17-18(19(24)20-10-13-8-9-27-21-13)26-11-16(23)22(17)14-4-5-14/h2-3,6-9,14,17-18H,4-5,10-11H2,1H3,(H,20,24)/t17-,18+/m1/s1
InChIKeyQCXKPTKWPATCAP-MSOLQXFVSA-N
XLogP1.43
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-oxomorpholine-2-carboxamide (CID 134705128) is (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-oxomorpholine-2-carboxamide is COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccon3)OCC(=O)N2C2CC2)cc1.
What is the InChIKey of (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-oxomorpholine-2-carboxamide?
The InChIKey is QCXKPTKWPATCAP-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-25-15-6-2-12(3-7-15)17-18(19(24)20-10-13-8-9-27-21-13)26-11-16(23)22(17)14-4-5-14/h2-3,6-9,14,17-18H,4-5,10-11H2,1H3,(H,20,24)/t17-,18+/m1/s1.
What are the key properties of (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-oxomorpholine-2-carboxamide?
(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-oxomorpholine-2-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 134705128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).