(5R,6S)-4-cyclopropyl-6-[2-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-(4-methoxyphenyl)morpholin-3-one

C20H26N4O4 — CID 157017427

IUPAC(5R,6S)-4-cyclopropyl-6-[2-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-(4-methoxyphenyl)morpholin-3-one
SMILESCOCCn1nc(C)nc1[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C20H26N4O4/c1-13-21-20(23(22-13)10-11-26-2)19-18(14-4-8-16(27-3)9-5-14)24(15-6-7-15)17(25)12-28-19/h4-5,8-9,15,18-19H,6-7,10-12H2,1-3H3/t18-,19+/m1/s1
InChIKeyOPYHKMHFGQBXBE-MOPGFXCFSA-N
MW386.45 g/mol
LogP2.05
Rot. Bonds7

About (5R,6S)-4-cyclopropyl-6-[2-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-(4-methoxyphenyl)morpholin-3-one

(5R,6S)-4-cyclopropyl-6-[2-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-(4-methoxyphenyl)morpholin-3-one (PubChem CID 157017427) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is (5R,6S)-4-cyclopropyl-6-[2-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-(4-methoxyphenyl)morpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-4-cyclopropyl-6-[2-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-(4-methoxyphenyl)morpholin-3-one
PubChem CID157017427
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name(5R,6S)-4-cyclopropyl-6-[2-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-(4-methoxyphenyl)morpholin-3-one
SMILESCOCCn1nc(C)nc1[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C20H26N4O4/c1-13-21-20(23(22-13)10-11-26-2)19-18(14-4-8-16(27-3)9-5-14)24(15-6-7-15)17(25)12-28-19/h4-5,8-9,15,18-19H,6-7,10-12H2,1-3H3/t18-,19+/m1/s1
InChIKeyOPYHKMHFGQBXBE-MOPGFXCFSA-N
XLogP2.05
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5R,6S)-6-(2-butyl-5-methyl-1,2,4-triazol-3-yl)-4-cyclopropyl-5-(4-methoxyphenyl)morpholin-3-one
CID 157011710
(5R,6S)-4-cyclopropyl-6-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-5-(4-methoxyphenyl)morpholin-3-one
CID 157020056
(5R,6S)-4-cyclopropyl-6-[5-ethyl-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-(4-methoxyphenyl)morpholin-3-one
CID 157018976
(5R,6S)-4-cyclopropyl-6-[5-ethyl-2-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]-5-(4-methoxyphenyl)morpholin-3-one
CID 157018549
(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]morpholine-2-carboxamide
CID 134707256
(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-oxomorpholine-2-carboxamide
CID 156585572
(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide
CID 137281044
(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-oxomorpholine-2-carboxamide
CID 134705128
(2S,3R)-N-[(4-cyanophenyl)methyl]-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxomorpholine-2-carboxamide
CID 134704100
(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-oxomorpholine-2-carboxamide;formic acid
CID 163340429
(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]morpholine-2-carboxamide
CID 157017201
(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-(2-pyrazin-2-ylethyl)morpholine-2-carboxamide
CID 157018851

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-4-cyclopropyl-6-[2-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-(4-methoxyphenyl)morpholin-3-one?
The IUPAC name of (5R,6S)-4-cyclopropyl-6-[2-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-(4-methoxyphenyl)morpholin-3-one (CID 157017427) is (5R,6S)-4-cyclopropyl-6-[2-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-(4-methoxyphenyl)morpholin-3-one.
What is the SMILES notation for (5R,6S)-4-cyclopropyl-6-[2-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-(4-methoxyphenyl)morpholin-3-one?
The canonical SMILES for (5R,6S)-4-cyclopropyl-6-[2-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-(4-methoxyphenyl)morpholin-3-one is COCCn1nc(C)nc1[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of (5R,6S)-4-cyclopropyl-6-[2-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-(4-methoxyphenyl)morpholin-3-one?
The InChIKey is OPYHKMHFGQBXBE-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-13-21-20(23(22-13)10-11-26-2)19-18(14-4-8-16(27-3)9-5-14)24(15-6-7-15)17(25)12-28-19/h4-5,8-9,15,18-19H,6-7,10-12H2,1-3H3/t18-,19+/m1/s1.
What are the key properties of (5R,6S)-4-cyclopropyl-6-[2-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-(4-methoxyphenyl)morpholin-3-one?
(5R,6S)-4-cyclopropyl-6-[2-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-(4-methoxyphenyl)morpholin-3-one has a molecular weight of 386.45 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-4-cyclopropyl-6-[2-(2-methoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-(4-methoxyphenyl)morpholin-3-one is sourced from PubChem (CID 157017427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).