(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-oxomorpholine-2-carboxamide

C19H22N4O5 — CID 156585572

IUPAC(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-oxomorpholine-2-carboxamide
SMILESCOc1ccc([C@@H]2[C@@H](C(=O)NCc3nonc3C)OCC(=O)N2C2CC2)cc1
InChIInChI=1S/C19H22N4O5/c1-11-15(22-28-21-11)9-20-19(25)18-17(12-3-7-14(26-2)8-4-12)23(13-5-6-13)16(24)10-27-18/h3-4,7-8,13,17-18H,5-6,9-10H2,1-2H3,(H,20,25)/t17-,18+/m1/s1
InChIKeyZGMBODJKPFUHRR-MSOLQXFVSA-N
MW386.41 g/mol
LogP1.13
Rot. Bonds6

About (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-oxomorpholine-2-carboxamide

(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-oxomorpholine-2-carboxamide (PubChem CID 156585572) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-oxomorpholine-2-carboxamide
PubChem CID156585572
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-oxomorpholine-2-carboxamide
SMILESCOc1ccc([C@@H]2[C@@H](C(=O)NCc3nonc3C)OCC(=O)N2C2CC2)cc1
InChIInChI=1S/C19H22N4O5/c1-11-15(22-28-21-11)9-20-19(25)18-17(12-3-7-14(26-2)8-4-12)23(13-5-6-13)16(24)10-27-18/h3-4,7-8,13,17-18H,5-6,9-10H2,1-2H3,(H,20,25)/t17-,18+/m1/s1
InChIKeyZGMBODJKPFUHRR-MSOLQXFVSA-N
XLogP1.13
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-oxomorpholine-2-carboxamide (CID 156585572) is (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-oxomorpholine-2-carboxamide is COc1ccc([C@@H]2[C@@H](C(=O)NCc3nonc3C)OCC(=O)N2C2CC2)cc1.
What is the InChIKey of (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-oxomorpholine-2-carboxamide?
The InChIKey is ZGMBODJKPFUHRR-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-11-15(22-28-21-11)9-20-19(25)18-17(12-3-7-14(26-2)8-4-12)23(13-5-6-13)16(24)10-27-18/h3-4,7-8,13,17-18H,5-6,9-10H2,1-2H3,(H,20,25)/t17-,18+/m1/s1.
What are the key properties of (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-oxomorpholine-2-carboxamide?
(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-oxomorpholine-2-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 156585572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).