N-(3-aminopropyl)-1,2-oxazole-5-carboxamide

C7H11N3O2 — CID 62268259

IUPACN-(3-aminopropyl)-1,2-oxazole-5-carboxamide
SMILESNCCCNC(=O)c1ccno1
InChIInChI=1S/C7H11N3O2/c8-3-1-4-9-7(11)6-2-5-10-12-6/h2,5H,1,3-4,8H2,(H,9,11)
InChIKeyLSMBIIOXQKVKCB-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.25
Rot. Bonds4

About N-(3-aminopropyl)-1,2-oxazole-5-carboxamide

N-(3-aminopropyl)-1,2-oxazole-5-carboxamide (PubChem CID 62268259) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-(3-aminopropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1,2-oxazole-5-carboxamide
PubChem CID62268259
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-(3-aminopropyl)-1,2-oxazole-5-carboxamide
SMILESNCCCNC(=O)c1ccno1
InChIInChI=1S/C7H11N3O2/c8-3-1-4-9-7(11)6-2-5-10-12-6/h2,5H,1,3-4,8H2,(H,9,11)
InChIKeyLSMBIIOXQKVKCB-UHFFFAOYSA-N
XLogP-0.25
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-aminopropyl)-1,2-oxazole-5-carboxamide (CID 62268259) is N-(3-aminopropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-1,2-oxazole-5-carboxamide is NCCCNC(=O)c1ccno1.
What is the InChIKey of N-(3-aminopropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is LSMBIIOXQKVKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-3-1-4-9-7(11)6-2-5-10-12-6/h2,5H,1,3-4,8H2,(H,9,11).
What are the key properties of N-(3-aminopropyl)-1,2-oxazole-5-carboxamide?
N-(3-aminopropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 169.18 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 62268259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).