N-[(4-morpholin-4-ylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide

C19H25N5O3 — CID 42101548

IUPACN-[(4-morpholin-4-ylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)c1cn(C[C@@H]2CCCO2)nn1
InChIInChI=1S/C19H25N5O3/c25-19(18-14-24(22-21-18)13-17-2-1-9-27-17)20-12-15-3-5-16(6-4-15)23-7-10-26-11-8-23/h3-6,14,17H,1-2,7-13H2,(H,20,25)/t17-/m0/s1
InChIKeyIKDFKZHIHNAHDK-KRWDZBQOSA-N
MW371.44 g/mol
LogP1.22
Rot. Bonds6

About N-[(4-morpholin-4-ylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide

N-[(4-morpholin-4-ylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide (PubChem CID 42101548) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
PubChem CID42101548
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-[(4-morpholin-4-ylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)c1cn(C[C@@H]2CCCO2)nn1
InChIInChI=1S/C19H25N5O3/c25-19(18-14-24(22-21-18)13-17-2-1-9-27-17)20-12-15-3-5-16(6-4-15)23-7-10-26-11-8-23/h3-6,14,17H,1-2,7-13H2,(H,20,25)/t17-/m0/s1
InChIKeyIKDFKZHIHNAHDK-KRWDZBQOSA-N
XLogP1.22
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 45236383
N-[(2-methoxynaphthalen-1-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 45207828
N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 110405121
methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
CID 129414230
N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 56902904
1-[[(2R)-oxolan-2-yl]methyl]-N-(1-phenylcyclopropyl)triazole-4-carboxamide
CID 42288627
1-[(4-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442981
1-(4-ethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 95183308
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
1-[[(2S)-oxolan-2-yl]methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide
CID 95726876
1-(4-ethylphenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]triazole-4-carboxamide
CID 71802853
4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 136578207

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide (CID 42101548) is N-[(4-morpholin-4-ylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(4-morpholin-4-ylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(4-morpholin-4-ylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide is O=C(NCc1ccc(N2CCOCC2)cc1)c1cn(C[C@@H]2CCCO2)nn1.
What is the InChIKey of N-[(4-morpholin-4-ylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is IKDFKZHIHNAHDK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N5O3/c25-19(18-14-24(22-21-18)13-17-2-1-9-27-17)20-12-15-3-5-16(6-4-15)23-7-10-26-11-8-23/h3-6,14,17H,1-2,7-13H2,(H,20,25)/t17-/m0/s1.
What are the key properties of N-[(4-morpholin-4-ylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide?
N-[(4-morpholin-4-ylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 42101548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).