N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-2-[(3R)-morpholin-3-yl]acetamide

C16H21N5O2 — CID 95727200

IUPACN-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-2-[(3R)-morpholin-3-yl]acetamide
SMILESCc1nc(Cc2ccc(NC(=O)C[C@@H]3COCCN3)cc2)n[nH]1
InChIInChI=1S/C16H21N5O2/c1-11-18-15(21-20-11)8-12-2-4-13(5-3-12)19-16(22)9-14-10-23-7-6-17-14/h2-5,14,17H,6-10H2,1H3,(H,19,22)(H,18,20,21)/t14-/m1/s1
InChIKeyYOQOAWLWQQUSSU-CQSZACIVSA-N
MW315.38 g/mol
LogP1.02
Rot. Bonds5

About N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-2-[(3R)-morpholin-3-yl]acetamide

N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-2-[(3R)-morpholin-3-yl]acetamide (PubChem CID 95727200) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-2-[(3R)-morpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-2-[(3R)-morpholin-3-yl]acetamide
PubChem CID95727200
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-2-[(3R)-morpholin-3-yl]acetamide
SMILESCc1nc(Cc2ccc(NC(=O)C[C@@H]3COCCN3)cc2)n[nH]1
InChIInChI=1S/C16H21N5O2/c1-11-18-15(21-20-11)8-12-2-4-13(5-3-12)19-16(22)9-14-10-23-7-6-17-14/h2-5,14,17H,6-10H2,1H3,(H,19,22)(H,18,20,21)/t14-/m1/s1
InChIKeyYOQOAWLWQQUSSU-CQSZACIVSA-N
XLogP1.02
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-dioxolan-2-yl)phenyl]-2-morpholin-3-ylacetamide
CID 106911781
N-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-morpholin-3-ylacetamide;hydrochloride
CID 137064245
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide
CID 95720015
(6R)-6-[(dimethylamino)methyl]-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-1,4-oxazepane-4-carboxamide
CID 125179098
2-[4-[[2-[(3S)-morpholin-3-yl]acetyl]amino]phenyl]quinoline-4-carboxamide
CID 95726365
1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea
CID 156607927
N-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-morpholin-3-ylacetamide
CID 56889679
N-[4-(furan-2-ylmethylsulfanyl)phenyl]-2-[(3R)-morpholin-3-yl]acetamide
CID 95712846
N-(4-chloropyrimidin-2-yl)-2-morpholin-3-ylacetamide
CID 114052312
N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-[(3S)-morpholin-3-yl]acetamide
CID 95728474
1-[(2S)-1-methoxypropan-2-yl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea
CID 118787319
2-(furan-2-yl)-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]azepane-1-carboxamide
CID 118767546

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-2-[(3R)-morpholin-3-yl]acetamide?
The IUPAC name of N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-2-[(3R)-morpholin-3-yl]acetamide (CID 95727200) is N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-2-[(3R)-morpholin-3-yl]acetamide.
What is the SMILES notation for N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-2-[(3R)-morpholin-3-yl]acetamide?
The canonical SMILES for N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-2-[(3R)-morpholin-3-yl]acetamide is Cc1nc(Cc2ccc(NC(=O)C[C@@H]3COCCN3)cc2)n[nH]1.
What is the InChIKey of N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-2-[(3R)-morpholin-3-yl]acetamide?
The InChIKey is YOQOAWLWQQUSSU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-18-15(21-20-11)8-12-2-4-13(5-3-12)19-16(22)9-14-10-23-7-6-17-14/h2-5,14,17H,6-10H2,1H3,(H,19,22)(H,18,20,21)/t14-/m1/s1.
What are the key properties of N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-2-[(3R)-morpholin-3-yl]acetamide?
N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-2-[(3R)-morpholin-3-yl]acetamide has a molecular weight of 315.38 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-2-[(3R)-morpholin-3-yl]acetamide is sourced from PubChem (CID 95727200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).