1-(1-tert-butylpyrazol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine

C14H22N4O — CID 102673286

IUPAC1-(1-tert-butylpyrazol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1nc(CNCc2cnn(C(C)(C)C)c2)oc1C
InChIInChI=1S/C14H22N4O/c1-10-11(2)19-13(17-10)8-15-6-12-7-16-18(9-12)14(3,4)5/h7,9,15H,6,8H2,1-5H3
InChIKeyDNVBKZLZGXVSME-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.53
Rot. Bonds4

About 1-(1-tert-butylpyrazol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine

1-(1-tert-butylpyrazol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 102673286) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(1-tert-butylpyrazol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-tert-butylpyrazol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID102673286
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-(1-tert-butylpyrazol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1nc(CNCc2cnn(C(C)(C)C)c2)oc1C
InChIInChI=1S/C14H22N4O/c1-10-11(2)19-13(17-10)8-15-6-12-7-16-18(9-12)14(3,4)5/h7,9,15H,6,8H2,1-5H3
InChIKeyDNVBKZLZGXVSME-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352384
1-(5-bromothiophen-2-yl)-N-[(1-tert-butylpyrazol-4-yl)methyl]methanamine
CID 54893638
4-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-2,6-dimethylphenol
CID 106370332
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine
CID 64681132
1-(1-tert-butylpyrazol-4-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103702005
2-(azepan-1-yl)-N-[(1-tert-butylpyrazol-4-yl)methyl]ethanamine
CID 60956791
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methyloxolan-3-yl)methanamine
CID 114104981
6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol
CID 103924056
1-(5-tert-butylthiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673082
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methylimidazol-4-yl)methanamine
CID 102673231
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 60957310
1-(5-bromothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103820215

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpyrazol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(1-tert-butylpyrazol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine (CID 102673286) is 1-(1-tert-butylpyrazol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-tert-butylpyrazol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1-tert-butylpyrazol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine is Cc1nc(CNCc2cnn(C(C)(C)C)c2)oc1C.
What is the InChIKey of 1-(1-tert-butylpyrazol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is DNVBKZLZGXVSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-11(2)19-13(17-10)8-15-6-12-7-16-18(9-12)14(3,4)5/h7,9,15H,6,8H2,1-5H3.
What are the key properties of 1-(1-tert-butylpyrazol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(1-tert-butylpyrazol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 262.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpyrazol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 102673286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).