N-(3-aminopropyl)-4-methyl-1,2-oxazole-5-carboxamide

C8H13N3O2 — CID 66335116

IUPACN-(3-aminopropyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NCCCN
InChIInChI=1S/C8H13N3O2/c1-6-5-11-13-7(6)8(12)10-4-2-3-9/h5H,2-4,9H2,1H3,(H,10,12)
InChIKeyVWXJMSDMOGKJJT-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.06
Rot. Bonds4

About N-(3-aminopropyl)-4-methyl-1,2-oxazole-5-carboxamide

N-(3-aminopropyl)-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 66335116) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID66335116
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-(3-aminopropyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NCCCN
InChIInChI=1S/C8H13N3O2/c1-6-5-11-13-7(6)8(12)10-4-2-3-9/h5H,2-4,9H2,1H3,(H,10,12)
InChIKeyVWXJMSDMOGKJJT-UHFFFAOYSA-N
XLogP0.06
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.06
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-isopropyl-5-methyl-4-isoxazolecarboxamide
CID 1477707
N-(4-isothiocyanatobutyl)-1,2-oxazole-5-carboxamide
CID 155530152
N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide
CID 2738872
N-(2-aminoethyl)-1,2-oxazole-5-carboxamide
CID 60966581
N-((5-methylisoxazol-4-yl)methyl)isoxazole-5-carboxamide
CID 121172381
N-(2-fluoroethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 53757803
2-[(4-Methyl-1,2-oxazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257715
3,3,3-Trifluoro-2-methyl-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 79795993
4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-5-carboxamide
CID 103750166
N-(3,3-difluoro-2-hydroxypropyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 103770285
N-(2,2-difluoro-3-hydroxypropyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 104857180
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 107482333

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-aminopropyl)-4-methyl-1,2-oxazole-5-carboxamide (CID 66335116) is N-(3-aminopropyl)-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-4-methyl-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is VWXJMSDMOGKJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6-5-11-13-7(6)8(12)10-4-2-3-9/h5H,2-4,9H2,1H3,(H,10,12).
What are the key properties of N-(3-aminopropyl)-4-methyl-1,2-oxazole-5-carboxamide?
N-(3-aminopropyl)-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 183.21 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 66335116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).