2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide

C13H21N3O2 — CID 86802324

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide
SMILESCc1cc(CNC2CCCCCC2C(N)=O)no1
InChIInChI=1S/C13H21N3O2/c1-9-7-10(16-18-9)8-15-12-6-4-2-3-5-11(12)13(14)17/h7,11-12,15H,2-6,8H2,1H3,(H2,14,17)
InChIKeyMZGASURYIROXQG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.51
Rot. Bonds4

About 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide

2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide (PubChem CID 86802324) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide
PubChem CID86802324
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide
SMILESCc1cc(CNC2CCCCCC2C(N)=O)no1
InChIInChI=1S/C13H21N3O2/c1-9-7-10(16-18-9)8-15-12-6-4-2-3-5-11(12)13(14)17/h7,11-12,15H,2-6,8H2,1H3,(H2,14,17)
InChIKeyMZGASURYIROXQG-UHFFFAOYSA-N
XLogP1.51
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carbonitrile
CID 62742459
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclopentan-1-amine
CID 65045485
cis-(1R,2S)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]cycloheptane-1-carboxamide
CID 99713150
2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide
CID 86790349
N-[2-(aminomethyl)cyclohexyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 119609935
2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide
CID 86790304
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolan-3-amine
CID 115336384
trans-(1R,2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161364
2-[(4,6-dimethylpyrimidin-2-yl)amino]cycloheptane-1-carboxamide
CID 84592830
cis-(1R,2S)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cycloheptane-1-carboxamide
CID 99854708
trans-(1R,2R)-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cycloheptane-1-carboxamide
CID 99854710
cis-methyl (1R,2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]cycloheptane-1-carboxylate
CID 96540969

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide (CID 86802324) is 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide is Cc1cc(CNC2CCCCCC2C(N)=O)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide?
The InChIKey is MZGASURYIROXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-7-10(16-18-9)8-15-12-6-4-2-3-5-11(12)13(14)17/h7,11-12,15H,2-6,8H2,1H3,(H2,14,17).
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide?
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carboxamide is sourced from PubChem (CID 86802324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).