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

C10H17N3O2 — CID 110833086

IUPACN-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCCCN)no1
InChIInChI=1S/C10H17N3O2/c1-7(2)9-6-8(13-15-9)10(14)12-5-3-4-11/h6-7H,3-5,11H2,1-2H3,(H,12,14)
InChIKeyDTRLMRRNZUJNIJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.88
Rot. Bonds5

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

N-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 110833086) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID110833086
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCCCN)no1
InChIInChI=1S/C10H17N3O2/c1-7(2)9-6-8(13-15-9)10(14)12-5-3-4-11/h6-7H,3-5,11H2,1-2H3,(H,12,14)
InChIKeyDTRLMRRNZUJNIJ-UHFFFAOYSA-N
XLogP0.88
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.88
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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Related Compounds

N-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 143192635
N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 59232393
5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 70779896
N-(3-aminopropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119406374
5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 70777572
N-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119407394
N-(3-aminopropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119406041
N-(3-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 121209358
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 91954371
N-(3,4-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 17253289
N-(3-aminopropyl)-5-methylpyridazine-3-carboxamide
CID 83617735
N-[2-(4-methylmorpholin-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56701471

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 110833086) is N-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)NCCCN)no1.
What is the InChIKey of N-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is DTRLMRRNZUJNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(2)9-6-8(13-15-9)10(14)12-5-3-4-11/h6-7H,3-5,11H2,1-2H3,(H,12,14).
What are the key properties of N-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110833086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).