5-tert-butyl-2-[(1R)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]-1,3-oxazole

C17H27N5O — CID 97220182

IUPAC5-tert-butyl-2-[(1R)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]-1,3-oxazole
SMILESC[C@H](c1ncc(C(C)(C)C)o1)N1CCN(c2cnn(C)c2)CC1
InChIInChI=1S/C17H27N5O/c1-13(16-18-11-15(23-16)17(2,3)4)21-6-8-22(9-7-21)14-10-19-20(5)12-14/h10-13H,6-9H2,1-5H3/t13-/m1/s1
InChIKeyXTSCXCVHAVQLBS-CYBMUJFWSA-N
MW317.44 g/mol
LogP2.59
Rot. Bonds3

About 5-tert-butyl-2-[(1R)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]-1,3-oxazole

5-tert-butyl-2-[(1R)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]-1,3-oxazole (PubChem CID 97220182) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 5-tert-butyl-2-[(1R)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[(1R)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]-1,3-oxazole
PubChem CID97220182
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name5-tert-butyl-2-[(1R)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]-1,3-oxazole
SMILESC[C@H](c1ncc(C(C)(C)C)o1)N1CCN(c2cnn(C)c2)CC1
InChIInChI=1S/C17H27N5O/c1-13(16-18-11-15(23-16)17(2,3)4)21-6-8-22(9-7-21)14-10-19-20(5)12-14/h10-13H,6-9H2,1-5H3/t13-/m1/s1
InChIKeyXTSCXCVHAVQLBS-CYBMUJFWSA-N
XLogP2.59
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-tert-butyl-2-[1-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-oxazole
CID 71918132
1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 119904496
3-[[4-[(1R)-1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 95787176
5-tert-butyl-2-propan-2-yl-1,3-oxazole
CID 23571128
1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine
CID 130376943
5-tert-butyl-2-[(1R)-1-chloroethyl]-1,3-oxazole
CID 93105065
N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine
CID 86791923
5-tert-butyl-3-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-one
CID 71851327
1-[(2-fluorophenyl)-phenylmethyl]-4-(1-methylpyrazol-4-yl)piperazine
CID 166326924
2-methyl-3-(methylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]propan-1-one
CID 119887328
1-(5-tert-butyl-1,3-oxazol-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylethanamine
CID 71981103
1-(azetidin-3-yl)-4-[1-(1-methylpyrazol-4-yl)ethyl]piperazine
CID 66201540

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(1R)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[(1R)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]-1,3-oxazole (CID 97220182) is 5-tert-butyl-2-[(1R)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[(1R)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[(1R)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]-1,3-oxazole is C[C@H](c1ncc(C(C)(C)C)o1)N1CCN(c2cnn(C)c2)CC1.
What is the InChIKey of 5-tert-butyl-2-[(1R)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]-1,3-oxazole?
The InChIKey is XTSCXCVHAVQLBS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27N5O/c1-13(16-18-11-15(23-16)17(2,3)4)21-6-8-22(9-7-21)14-10-19-20(5)12-14/h10-13H,6-9H2,1-5H3/t13-/m1/s1.
What are the key properties of 5-tert-butyl-2-[(1R)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]-1,3-oxazole?
5-tert-butyl-2-[(1R)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]-1,3-oxazole has a molecular weight of 317.44 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[(1R)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethyl]-1,3-oxazole is sourced from PubChem (CID 97220182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).