(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]morpholine-2-carboxamide

C19H23N5O4 — CID 134707256

IUPAC(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]morpholine-2-carboxamide
SMILESCOc1ccc([C@@H]2[C@@H](C(=O)NCCn3cncn3)OCC(=O)N2C2CC2)cc1
InChIInChI=1S/C19H23N5O4/c1-27-15-6-2-13(3-7-15)17-18(28-10-16(25)24(17)14-4-5-14)19(26)21-8-9-23-12-20-11-22-23/h2-3,6-7,11-12,14,17-18H,4-5,8-10H2,1H3,(H,21,26)/t17-,18+/m1/s1
InChIKeyNOLUJQFITJPWJC-MSOLQXFVSA-N
MW385.42 g/mol
LogP0.53
Rot. Bonds7

About (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]morpholine-2-carboxamide

(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]morpholine-2-carboxamide (PubChem CID 134707256) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]morpholine-2-carboxamide
PubChem CID134707256
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]morpholine-2-carboxamide
SMILESCOc1ccc([C@@H]2[C@@H](C(=O)NCCn3cncn3)OCC(=O)N2C2CC2)cc1
InChIInChI=1S/C19H23N5O4/c1-27-15-6-2-13(3-7-15)17-18(28-10-16(25)24(17)14-4-5-14)19(26)21-8-9-23-12-20-11-22-23/h2-3,6-7,11-12,14,17-18H,4-5,8-10H2,1H3,(H,21,26)/t17-,18+/m1/s1
InChIKeyNOLUJQFITJPWJC-MSOLQXFVSA-N
XLogP0.53
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-(2-pyrazin-2-ylethyl)morpholine-2-carboxamide
CID 157018851
(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)-4-cyclopropyl-3-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-5-oxomorpholine-2-carboxamide
CID 156585572
(2S,3R)-N-[(4-cyanophenyl)methyl]-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxomorpholine-2-carboxamide
CID 134704100
(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-N-[(1-hydroxycyclohexyl)methyl]-3-(4-methoxyphenyl)-5-oxomorpholine-2-carboxamide;formic acid
CID 163341583
(2R,3S)-4-cyclopropyl-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 163337634
(2S,3R)-4-cyclopropyl-5-oxo-N-(2-piperazin-1-ylethyl)-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134709167
(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide
CID 134709742
(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
(5R,6S)-4-cyclopropyl-6-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-5-(4-methoxyphenyl)morpholin-3-one
CID 157020056

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]morpholine-2-carboxamide?
The IUPAC name of (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]morpholine-2-carboxamide (CID 134707256) is (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]morpholine-2-carboxamide is COc1ccc([C@@H]2[C@@H](C(=O)NCCn3cncn3)OCC(=O)N2C2CC2)cc1.
What is the InChIKey of (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]morpholine-2-carboxamide?
The InChIKey is NOLUJQFITJPWJC-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-27-15-6-2-13(3-7-15)17-18(28-10-16(25)24(17)14-4-5-14)19(26)21-8-9-23-12-20-11-22-23/h2-3,6-7,11-12,14,17-18H,4-5,8-10H2,1H3,(H,21,26)/t17-,18+/m1/s1.
What are the key properties of (2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]morpholine-2-carboxamide?
(2S,3R)-4-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]morpholine-2-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 0.53, 7 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)-5-oxo-N-[2-(1,2,4-triazol-1-yl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 134707256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).