N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine

C21H27FN4O — CID 42193265

IUPACN-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCc1nn(C)c(C)c1CN(Cc1nc(-c2cccc(F)c2)oc1C)C(C)C
InChIInChI=1S/C21H27FN4O/c1-13(2)26(11-19-14(3)24-25(6)15(19)4)12-20-16(5)27-21(23-20)17-8-7-9-18(22)10-17/h7-10,13H,11-12H2,1-6H3
InChIKeyHLZGZQTZULSVLB-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.55
Rot. Bonds6

About N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine

N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 42193265) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID42193265
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC NameN-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCc1nn(C)c(C)c1CN(Cc1nc(-c2cccc(F)c2)oc1C)C(C)C
InChIInChI=1S/C21H27FN4O/c1-13(2)26(11-19-14(3)24-25(6)15(19)4)12-20-16(5)27-21(23-20)17-8-7-9-18(22)10-17/h7-10,13H,11-12H2,1-6H3
InChIKeyHLZGZQTZULSVLB-UHFFFAOYSA-N
XLogP4.55
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine (CID 42193265) is N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine is Cc1nn(C)c(C)c1CN(Cc1nc(-c2cccc(F)c2)oc1C)C(C)C.
What is the InChIKey of N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is HLZGZQTZULSVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-13(2)26(11-19-14(3)24-25(6)15(19)4)12-20-16(5)27-21(23-20)17-8-7-9-18(22)10-17/h7-10,13H,11-12H2,1-6H3.
What are the key properties of N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 370.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 42193265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).