(2R)-4-methyl-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]morpholine-2-carboxamide

C16H21N5O3 — CID 137216171

IUPAC(2R)-4-methyl-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]morpholine-2-carboxamide
SMILESCN1CCO[C@@H](C(=O)N[C@@H](Cc2ccccc2)c2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C16H21N5O3/c1-21-7-8-24-13(10-21)15(22)17-12(14-18-16(23)20-19-14)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,17,22)(H2,18,19,20,23)/t12-,13+/m0/s1
InChIKeySCDXLDPLTUXTMF-QWHCGFSZSA-N
MW331.38 g/mol
LogP-0.17
Rot. Bonds5

About (2R)-4-methyl-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]morpholine-2-carboxamide

(2R)-4-methyl-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]morpholine-2-carboxamide (PubChem CID 137216171) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is (2R)-4-methyl-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-methyl-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]morpholine-2-carboxamide
PubChem CID137216171
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name(2R)-4-methyl-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]morpholine-2-carboxamide
SMILESCN1CCO[C@@H](C(=O)N[C@@H](Cc2ccccc2)c2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C16H21N5O3/c1-21-7-8-24-13(10-21)15(22)17-12(14-18-16(23)20-19-14)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,17,22)(H2,18,19,20,23)/t12-,13+/m0/s1
InChIKeySCDXLDPLTUXTMF-QWHCGFSZSA-N
XLogP-0.17
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-4-methylmorpholine-2-carboxamide
CID 110001398
4-methyl-N-phenylmorpholine-2-carboxamide
CID 20524995
5-methoxy-1-methyl-N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]pyrazole-3-carboxamide
CID 136555858
1-(4-methylmorpholin-2-yl)-3-phenylpropan-1-one
CID 79077304
N-(3-hydroxy-3-phenylpropyl)-4-methylmorpholine-2-carboxamide
CID 111719911
(2S)-N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide
CID 124732140
(2S)-4-methyl-N-[(2R)-1-[2-(trifluoromethyl)phenyl]propan-2-yl]morpholine-2-carboxamide
CID 97347258
(2S)-4-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-2-carboxamide
CID 96784696
(2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide
CID 97216021
(2R)-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 95629116
4-methyl-N-[1-(1-pyridin-4-yltriazol-4-yl)ethyl]morpholine-2-carboxamide
CID 166329759
1-acetyl-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]piperidine-4-carboxamide
CID 9116736

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-4-methyl-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]morpholine-2-carboxamide (CID 137216171) is (2R)-4-methyl-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-methyl-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-methyl-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]morpholine-2-carboxamide is CN1CCO[C@@H](C(=O)N[C@@H](Cc2ccccc2)c2n[nH]c(=O)[nH]2)C1.
What is the InChIKey of (2R)-4-methyl-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]morpholine-2-carboxamide?
The InChIKey is SCDXLDPLTUXTMF-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-21-7-8-24-13(10-21)15(22)17-12(14-18-16(23)20-19-14)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,17,22)(H2,18,19,20,23)/t12-,13+/m0/s1.
What are the key properties of (2R)-4-methyl-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]morpholine-2-carboxamide?
(2R)-4-methyl-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]morpholine-2-carboxamide has a molecular weight of 331.38 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-N-[(1S)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-phenylethyl]morpholine-2-carboxamide is sourced from PubChem (CID 137216171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).