5-amino-N-(pyrrolidin-3-ylmethyl)-1,2-oxazole-4-carboxamide

C9H14N4O2 — CID 115026867

IUPAC5-amino-N-(pyrrolidin-3-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESNc1oncc1C(=O)NCC1CCNC1
InChIInChI=1S/C9H14N4O2/c10-8-7(5-13-15-8)9(14)12-4-6-1-2-11-3-6/h5-6,11H,1-4,10H2,(H,12,14)
InChIKeyPXSUKSYKWMBQAP-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.40
Rot. Bonds3

About 5-amino-N-(pyrrolidin-3-ylmethyl)-1,2-oxazole-4-carboxamide

5-amino-N-(pyrrolidin-3-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 115026867) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-amino-N-(pyrrolidin-3-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(pyrrolidin-3-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID115026867
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-amino-N-(pyrrolidin-3-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESNc1oncc1C(=O)NCC1CCNC1
InChIInChI=1S/C9H14N4O2/c10-8-7(5-13-15-8)9(14)12-4-6-1-2-11-3-6/h5-6,11H,1-4,10H2,(H,12,14)
InChIKeyPXSUKSYKWMBQAP-UHFFFAOYSA-N
XLogP-0.40
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide
CID 63628731
3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide
CID 80564619
2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271836
2-methylsulfanyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564481
N-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 71645408
2,3,4-trifluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564595
2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564265
2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 80564171
4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564144
5-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564437
3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 178146409
3-chloro-2-fluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 81267075

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(pyrrolidin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-amino-N-(pyrrolidin-3-ylmethyl)-1,2-oxazole-4-carboxamide (CID 115026867) is 5-amino-N-(pyrrolidin-3-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(pyrrolidin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(pyrrolidin-3-ylmethyl)-1,2-oxazole-4-carboxamide is Nc1oncc1C(=O)NCC1CCNC1.
What is the InChIKey of 5-amino-N-(pyrrolidin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is PXSUKSYKWMBQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-8-7(5-13-15-8)9(14)12-4-6-1-2-11-3-6/h5-6,11H,1-4,10H2,(H,12,14).
What are the key properties of 5-amino-N-(pyrrolidin-3-ylmethyl)-1,2-oxazole-4-carboxamide?
5-amino-N-(pyrrolidin-3-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(pyrrolidin-3-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 115026867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).