N-(2-aminopropyl)-1,2-oxazole-4-carboxamide

C7H11N3O2 — CID 83617541

IUPACN-(2-aminopropyl)-1,2-oxazole-4-carboxamide
SMILESCC(N)CNC(=O)c1cnoc1
InChIInChI=1S/C7H11N3O2/c1-5(8)2-9-7(11)6-3-10-12-4-6/h3-5H,2,8H2,1H3,(H,9,11)
InChIKeyWQKULSNYKJCUSU-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.25
Rot. Bonds3

About N-(2-aminopropyl)-1,2-oxazole-4-carboxamide

N-(2-aminopropyl)-1,2-oxazole-4-carboxamide (PubChem CID 83617541) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-(2-aminopropyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-1,2-oxazole-4-carboxamide
PubChem CID83617541
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-(2-aminopropyl)-1,2-oxazole-4-carboxamide
SMILESCC(N)CNC(=O)c1cnoc1
InChIInChI=1S/C7H11N3O2/c1-5(8)2-9-7(11)6-3-10-12-4-6/h3-5H,2,8H2,1H3,(H,9,11)
InChIKeyWQKULSNYKJCUSU-UHFFFAOYSA-N
XLogP-0.25
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

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Related Compounds

2-methyl-3-(1,2-oxazole-4-carbonylamino)propanoic acid
CID 83617820
4-amino-N-(2-aminopropyl)benzamide
CID 130891998
N-(2-aminopropyl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 110833900
N-(2-aminopropyl)-5-ethyl-1,2-oxazole-4-carboxamide
CID 83617699
N-(2-aminopropyl)-1-methylpyrrole-3-carboxamide
CID 83617526
(2S)-4-amino-2-(1,2-oxazole-4-carbonylamino)-4-oxobutanoic acid
CID 110835000
N-(2-aminopropyl)-4-cyanobenzamide
CID 63732512
N-(2-aminopropyl)-3-methylbenzamide
CID 63733332
N-(2-aminopropyl)-3,4-difluorobenzamide
CID 63732931
N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 154511562
N-(2-aminopropyl)-2-chlorofuran-3-carboxamide
CID 106688502
N-[5-amino-3-(5-chlorothiophen-2-yl)heptyl]-1,2-oxazole-4-carboxamide
CID 174460743

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-aminopropyl)-1,2-oxazole-4-carboxamide (CID 83617541) is N-(2-aminopropyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-aminopropyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-aminopropyl)-1,2-oxazole-4-carboxamide is CC(N)CNC(=O)c1cnoc1.
What is the InChIKey of N-(2-aminopropyl)-1,2-oxazole-4-carboxamide?
The InChIKey is WQKULSNYKJCUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5(8)2-9-7(11)6-3-10-12-4-6/h3-5H,2,8H2,1H3,(H,9,11).
What are the key properties of N-(2-aminopropyl)-1,2-oxazole-4-carboxamide?
N-(2-aminopropyl)-1,2-oxazole-4-carboxamide has a molecular weight of 169.18 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 83617541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).