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

C13H20N4O — CID 60761958

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
SMILESCc1noc(C)c1CNCCCc1cn[nH]c1C
InChIInChI=1S/C13H20N4O/c1-9-12(7-15-16-9)5-4-6-14-8-13-10(2)17-18-11(13)3/h7,14H,4-6,8H2,1-3H3,(H,15,16)
InChIKeyKLPRHZCWDOZCQW-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.05
Rot. Bonds6

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine (PubChem CID 60761958) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
PubChem CID60761958
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
SMILESCc1noc(C)c1CNCCCc1cn[nH]c1C
InChIInChI=1S/C13H20N4O/c1-9-12(7-15-16-9)5-4-6-14-8-13-10(2)17-18-11(13)3/h7,14H,4-6,8H2,1-3H3,(H,15,16)
InChIKeyKLPRHZCWDOZCQW-UHFFFAOYSA-N
XLogP2.05
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.05
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

3,5-dimethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2-oxazole-4-sulfonamide
CID 62040309
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 60887968
4-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]benzene-1,2,3-triol
CID 103953159
2-methyl-6-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol
CID 112554057
N-[(2,3-difluorophenyl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 63668247
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
CID 62040706
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol
CID 28833064
3-(5-methyl-1H-pyrazol-4-yl)-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 62040035
2-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]benzonitrile
CID 103851222
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine
CID 28780886
N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine
CID 61004281
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine
CID 60920492

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine (CID 60761958) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine is Cc1noc(C)c1CNCCCc1cn[nH]c1C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
The InChIKey is KLPRHZCWDOZCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-12(7-15-16-9)5-4-6-14-8-13-10(2)17-18-11(13)3/h7,14H,4-6,8H2,1-3H3,(H,15,16).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 60761958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).