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

C10H14N4O — CID 115914400

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-amine
SMILESCCn1cc(CNc2cc(C)on2)cn1
InChIInChI=1S/C10H14N4O/c1-3-14-7-9(6-12-14)5-11-10-4-8(2)15-13-10/h4,6-7H,3,5H2,1-2H3,(H,11,13)
InChIKeyKLUXAJUIUBLDMO-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.81
Rot. Bonds4

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

N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-amine (PubChem CID 115914400) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-amine
PubChem CID115914400
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-amine
SMILESCCn1cc(CNc2cc(C)on2)cn1
InChIInChI=1S/C10H14N4O/c1-3-14-7-9(6-12-14)5-11-10-4-8(2)15-13-10/h4,6-7H,3,5H2,1-2H3,(H,11,13)
InChIKeyKLUXAJUIUBLDMO-UHFFFAOYSA-N
XLogP1.81
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-tribromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62126001
1-N-[(1-ethylpyrazol-4-yl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115378214
6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 102808181
6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine
CID 103934431
1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19684607
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
5-bromo-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-3-amine
CID 115770597
N-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120973425
1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103096833
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19475319
N-[(1-ethylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine
CID 122166808

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-amine (CID 115914400) is N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-amine is CCn1cc(CNc2cc(C)on2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-amine?
The InChIKey is KLUXAJUIUBLDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-3-14-7-9(6-12-14)5-11-10-4-8(2)15-13-10/h4,6-7H,3,5H2,1-2H3,(H,11,13).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-amine?
N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-amine has a molecular weight of 206.25 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 115914400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).