3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C16H24N6O3 — CID 95750660

IUPAC3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1nc(C)n(C[C@@H]2CN(CCC(=O)Nc3cc(C)on3)CCO2)n1
InChIInChI=1S/C16H24N6O3/c1-11-8-15(20-25-11)18-16(23)4-5-21-6-7-24-14(9-21)10-22-13(3)17-12(2)19-22/h8,14H,4-7,9-10H2,1-3H3,(H,18,20,23)/t14-/m0/s1
InChIKeyLCTFGFZWNROWOR-AWEZNQCLSA-N
MW348.41 g/mol
LogP0.92
Rot. Bonds6

About 3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 95750660) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID95750660
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1nc(C)n(C[C@@H]2CN(CCC(=O)Nc3cc(C)on3)CCO2)n1
InChIInChI=1S/C16H24N6O3/c1-11-8-15(20-25-11)18-16(23)4-5-21-6-7-24-14(9-21)10-22-13(3)17-12(2)19-22/h8,14H,4-7,9-10H2,1-3H3,(H,18,20,23)/t14-/m0/s1
InChIKeyLCTFGFZWNROWOR-AWEZNQCLSA-N
XLogP0.92
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(1-aminoethyl)morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 81491262
2-[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95309298
3-(4-hydroxy-3-methylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 114681223
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 119905235
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide
CID 96512379
2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 71878566
3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 62063401
3-[(3R)-3-aminopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 102977266
3-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 120728104
2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-yl]acetic acid
CID 79612210
(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 42588585
3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 122134106

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 95750660) is 3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1nc(C)n(C[C@@H]2CN(CCC(=O)Nc3cc(C)on3)CCO2)n1.
What is the InChIKey of 3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is LCTFGFZWNROWOR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-11-8-15(20-25-11)18-16(23)4-5-21-6-7-24-14(9-21)10-22-13(3)17-12(2)19-22/h8,14H,4-7,9-10H2,1-3H3,(H,18,20,23)/t14-/m0/s1.
What are the key properties of 3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 348.41 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 95750660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).