N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine

C11H20N2O — CID 60972577

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine
SMILESCc1nc(CNCCC(C)C)oc1C
InChIInChI=1S/C11H20N2O/c1-8(2)5-6-12-7-11-13-9(3)10(4)14-11/h8,12H,5-7H2,1-4H3
InChIKeyCKFQUDLHSHJQCQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.43
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine (PubChem CID 60972577) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine
PubChem CID60972577
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine
SMILESCc1nc(CNCCC(C)C)oc1C
InChIInChI=1S/C11H20N2O/c1-8(2)5-6-12-7-11-13-9(3)10(4)14-11/h8,12H,5-7H2,1-4H3
InChIKeyCKFQUDLHSHJQCQ-UHFFFAOYSA-N
XLogP2.43
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 106372748
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115518471
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetonitrile
CID 106372653
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]butanamide
CID 60972938
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 113327418
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]hydroxylamine
CID 82594349
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-difluoropropan-2-amine
CID 106370363
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpentan-3-amine
CID 61469630
N-butan-2-yl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 114180427

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine (CID 60972577) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine is Cc1nc(CNCCC(C)C)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine?
The InChIKey is CKFQUDLHSHJQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)5-6-12-7-11-13-9(3)10(4)14-11/h8,12H,5-7H2,1-4H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine has a molecular weight of 196.29 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 60972577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).