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

C14H22N4O — CID 62222891

IUPACN-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1noc(C)c1Cn1ccnc1CNC(C)(C)C
InChIInChI=1S/C14H22N4O/c1-10-12(11(2)19-17-10)9-18-7-6-15-13(18)8-16-14(3,4)5/h6-7,16H,8-9H2,1-5H3
InChIKeyVMMSRLATLRRMNS-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.42
Rot. Bonds4

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

N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62222891) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62222891
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1noc(C)c1Cn1ccnc1CNC(C)(C)C
InChIInChI=1S/C14H22N4O/c1-10-12(11(2)19-17-10)9-18-7-6-15-13(18)8-16-14(3,4)5/h6-7,16H,8-9H2,1-5H3
InChIKeyVMMSRLATLRRMNS-UHFFFAOYSA-N
XLogP2.42
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine (CID 62222891) is N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine is Cc1noc(C)c1Cn1ccnc1CNC(C)(C)C.
What is the InChIKey of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is VMMSRLATLRRMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-12(11(2)19-17-10)9-18-7-6-15-13(18)8-16-14(3,4)5/h6-7,16H,8-9H2,1-5H3.
What are the key properties of N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 262.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62222891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).