3-(methylamino)-N-(1,2-oxazol-3-yl)cyclobutane-1-carboxamide

C9H13N3O2 — CID 164651421

IUPAC3-(methylamino)-N-(1,2-oxazol-3-yl)cyclobutane-1-carboxamide
SMILESCNC1CC(C(=O)Nc2ccon2)C1
InChIInChI=1S/C9H13N3O2/c1-10-7-4-6(5-7)9(13)11-8-2-3-14-12-8/h2-3,6-7,10H,4-5H2,1H3,(H,11,12,13)
InChIKeyCJNNKVVLCXCKTA-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.61
Rot. Bonds3

About 3-(methylamino)-N-(1,2-oxazol-3-yl)cyclobutane-1-carboxamide

3-(methylamino)-N-(1,2-oxazol-3-yl)cyclobutane-1-carboxamide (PubChem CID 164651421) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(methylamino)-N-(1,2-oxazol-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-N-(1,2-oxazol-3-yl)cyclobutane-1-carboxamide
PubChem CID164651421
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(methylamino)-N-(1,2-oxazol-3-yl)cyclobutane-1-carboxamide
SMILESCNC1CC(C(=O)Nc2ccon2)C1
InChIInChI=1S/C9H13N3O2/c1-10-7-4-6(5-7)9(13)11-8-2-3-14-12-8/h2-3,6-7,10H,4-5H2,1H3,(H,11,12,13)
InChIKeyCJNNKVVLCXCKTA-UHFFFAOYSA-N
XLogP0.61
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(1,2-oxazol-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 3-(methylamino)-N-(1,2-oxazol-3-yl)cyclobutane-1-carboxamide (CID 164651421) is 3-(methylamino)-N-(1,2-oxazol-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-(methylamino)-N-(1,2-oxazol-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-(methylamino)-N-(1,2-oxazol-3-yl)cyclobutane-1-carboxamide is CNC1CC(C(=O)Nc2ccon2)C1.
What is the InChIKey of 3-(methylamino)-N-(1,2-oxazol-3-yl)cyclobutane-1-carboxamide?
The InChIKey is CJNNKVVLCXCKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-10-7-4-6(5-7)9(13)11-8-2-3-14-12-8/h2-3,6-7,10H,4-5H2,1H3,(H,11,12,13).
What are the key properties of 3-(methylamino)-N-(1,2-oxazol-3-yl)cyclobutane-1-carboxamide?
3-(methylamino)-N-(1,2-oxazol-3-yl)cyclobutane-1-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(1,2-oxazol-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 164651421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).