2-[(2R)-2-methyl-1,4-oxazepan-4-yl]-N-(1-methylpyrazol-3-yl)acetamide

C12H20N4O2 — CID 124756401

IUPAC2-[(2R)-2-methyl-1,4-oxazepan-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2ccn(C)n2)CCCO1
InChIInChI=1S/C12H20N4O2/c1-10-8-16(5-3-7-18-10)9-12(17)13-11-4-6-15(2)14-11/h4,6,10H,3,5,7-9H2,1-2H3,(H,13,14,17)/t10-/m1/s1
InChIKeySOTQILQYHNJMIB-SNVBAGLBSA-N
MW252.32 g/mol
LogP0.47
Rot. Bonds3

About 2-[(2R)-2-methyl-1,4-oxazepan-4-yl]-N-(1-methylpyrazol-3-yl)acetamide

2-[(2R)-2-methyl-1,4-oxazepan-4-yl]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 124756401) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-1,4-oxazepan-4-yl]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-methyl-1,4-oxazepan-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID124756401
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[(2R)-2-methyl-1,4-oxazepan-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2ccn(C)n2)CCCO1
InChIInChI=1S/C12H20N4O2/c1-10-8-16(5-3-7-18-10)9-12(17)13-11-4-6-15(2)14-11/h4,6,10H,3,5,7-9H2,1-2H3,(H,13,14,17)/t10-/m1/s1
InChIKeySOTQILQYHNJMIB-SNVBAGLBSA-N
XLogP0.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 79327473
2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91830392
2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 70753990
N-(1-methylpyrazol-3-yl)-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 124752097
N-(1-methylpyrazol-3-yl)-2-[(3S)-3-(2-methylsulfanylbenzoyl)piperidin-1-yl]acetamide
CID 124852169
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 135112335
N-(4-aminophenyl)-4-(2-methyl-1,4-oxazepan-4-yl)butanamide
CID 62988421
2-(2-methylmorpholin-4-yl)-N-(2-methylphenyl)acetamide
CID 51295683
N-(1-methylpyrazol-3-yl)-2-[4-(thian-4-yl)piperazin-1-yl]acetamide
CID 91833419
2-[4-[(1-methylpyrazol-3-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 66434845
2-[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91836314
3-(2-methyl-1,4-oxazepan-4-yl)-1-(4-methylphenyl)propan-1-one
CID 62972993

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-1,4-oxazepan-4-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[(2R)-2-methyl-1,4-oxazepan-4-yl]-N-(1-methylpyrazol-3-yl)acetamide (CID 124756401) is 2-[(2R)-2-methyl-1,4-oxazepan-4-yl]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(2R)-2-methyl-1,4-oxazepan-4-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(2R)-2-methyl-1,4-oxazepan-4-yl]-N-(1-methylpyrazol-3-yl)acetamide is C[C@@H]1CN(CC(=O)Nc2ccn(C)n2)CCCO1.
What is the InChIKey of 2-[(2R)-2-methyl-1,4-oxazepan-4-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is SOTQILQYHNJMIB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-10-8-16(5-3-7-18-10)9-12(17)13-11-4-6-15(2)14-11/h4,6,10H,3,5,7-9H2,1-2H3,(H,13,14,17)/t10-/m1/s1.
What are the key properties of 2-[(2R)-2-methyl-1,4-oxazepan-4-yl]-N-(1-methylpyrazol-3-yl)acetamide?
2-[(2R)-2-methyl-1,4-oxazepan-4-yl]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methyl-1,4-oxazepan-4-yl]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 124756401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).