4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide

C10H17N3O2 — CID 60972938

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide
SMILESCc1nc(CNCCCC(N)=O)oc1C
InChIInChI=1S/C10H17N3O2/c1-7-8(2)15-10(13-7)6-12-5-3-4-9(11)14/h12H,3-6H2,1-2H3,(H2,11,14)
InChIKeyNYYLOKRHTRMIRE-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.65
Rot. Bonds6

About 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide

4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide (PubChem CID 60972938) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide
PubChem CID60972938
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide
SMILESCc1nc(CNCCCC(N)=O)oc1C
InChIInChI=1S/C10H17N3O2/c1-7-8(2)15-10(13-7)6-12-5-3-4-9(11)14/h12H,3-6H2,1-2H3,(H2,11,14)
InChIKeyNYYLOKRHTRMIRE-UHFFFAOYSA-N
XLogP0.65
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.65
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

5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pentan-2-ol
CID 106130930
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63964251
N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propyl]methanesulfonamide
CID 106336432
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115518471
5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pentanamide
CID 106237182
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 113327418
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine
CID 60972577
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 106372748
ethyl 4-[[N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]butanoate;hydroiodide
CID 109429648
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-ethylbut-2-enoic acid
CID 106373645
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 82594349
6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-6-oxohexanoic acid
CID 106370238

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide (CID 60972938) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide is Cc1nc(CNCCCC(N)=O)oc1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide?
The InChIKey is NYYLOKRHTRMIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-8(2)15-10(13-7)6-12-5-3-4-9(11)14/h12H,3-6H2,1-2H3,(H2,11,14).
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide has a molecular weight of 211.26 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide is sourced from PubChem (CID 60972938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).