N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine

C14H22N4O — CID 91841114

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine
SMILESCCn1cc(CN(C)Cc2cc(C(C)C)on2)cn1
InChIInChI=1S/C14H22N4O/c1-5-18-9-12(7-15-18)8-17(4)10-13-6-14(11(2)3)19-16-13/h6-7,9,11H,5,8,10H2,1-4H3
InChIKeyDMOZYZBVWBTOQJ-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.65
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine

N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine (PubChem CID 91841114) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine
PubChem CID91841114
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine
SMILESCCn1cc(CN(C)Cc2cc(C(C)C)on2)cn1
InChIInChI=1S/C14H22N4O/c1-5-18-9-12(7-15-18)8-17(4)10-13-6-14(11(2)3)19-16-13/h6-7,9,11H,5,8,10H2,1-4H3
InChIKeyDMOZYZBVWBTOQJ-UHFFFAOYSA-N
XLogP2.65
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine (CID 91841114) is N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine is CCn1cc(CN(C)Cc2cc(C(C)C)on2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine?
The InChIKey is DMOZYZBVWBTOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-5-18-9-12(7-15-18)8-17(4)10-13-6-14(11(2)3)19-16-13/h6-7,9,11H,5,8,10H2,1-4H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine?
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine has a molecular weight of 262.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 91841114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).