4-amino-N-(1,2-oxazol-5-ylmethyl)cyclopent-2-ene-1-carboxamide

C10H13N3O2 — CID 106417005

IUPAC4-amino-N-(1,2-oxazol-5-ylmethyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCc2ccno2)C1
InChIInChI=1S/C10H13N3O2/c11-8-2-1-7(5-8)10(14)12-6-9-3-4-13-15-9/h1-4,7-8H,5-6,11H2,(H,12,14)
InChIKeyHFVYVRDZNNGEIJ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.19
Rot. Bonds3

About 4-amino-N-(1,2-oxazol-5-ylmethyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(1,2-oxazol-5-ylmethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 106417005) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-amino-N-(1,2-oxazol-5-ylmethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,2-oxazol-5-ylmethyl)cyclopent-2-ene-1-carboxamide
PubChem CID106417005
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-amino-N-(1,2-oxazol-5-ylmethyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCc2ccno2)C1
InChIInChI=1S/C10H13N3O2/c11-8-2-1-7(5-8)10(14)12-6-9-3-4-13-15-9/h1-4,7-8H,5-6,11H2,(H,12,14)
InChIKeyHFVYVRDZNNGEIJ-UHFFFAOYSA-N
XLogP0.19
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 79208355
2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106414778
cis-(1R,3S)-2,2-dimethyl-3-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106414836
N-(1,2-oxazol-5-ylmethyl)acetamide
CID 103939766
4-amino-N-ethylcyclopent-2-ene-1-carboxamide
CID 79211546
4-amino-N-[(4-sulfamoylphenyl)methyl]cyclopent-2-ene-1-carboxamide
CID 79210828
4-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79208078
4-amino-N-(2-aminoethyl)cyclopent-2-ene-1-carboxamide
CID 79207691
4-methoxy-N-(1,2-oxazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 106417108
4-(methylamino)-N-(1,2-oxazol-5-ylmethyl)oxolane-3-carboxamide
CID 106417047
4-amino-N-(2-pyridin-2-ylethyl)cyclopent-2-ene-1-carboxamide
CID 79210356
(3R)-N-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide
CID 106417230

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,2-oxazol-5-ylmethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(1,2-oxazol-5-ylmethyl)cyclopent-2-ene-1-carboxamide (CID 106417005) is 4-amino-N-(1,2-oxazol-5-ylmethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1,2-oxazol-5-ylmethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(1,2-oxazol-5-ylmethyl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)NCc2ccno2)C1.
What is the InChIKey of 4-amino-N-(1,2-oxazol-5-ylmethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is HFVYVRDZNNGEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-8-2-1-7(5-8)10(14)12-6-9-3-4-13-15-9/h1-4,7-8H,5-6,11H2,(H,12,14).
What are the key properties of 4-amino-N-(1,2-oxazol-5-ylmethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(1,2-oxazol-5-ylmethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 207.23 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,2-oxazol-5-ylmethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 106417005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).