3-[5-[5-[2-(2,5-dimethylpyrazol-3-yl)ethyl]-1-methylpyrazol-3-yl]pentan-2-yl]-5-methyl-1,2-oxazole

C20H29N5O — CID 145188649

IUPAC3-[5-[5-[2-(2,5-dimethylpyrazol-3-yl)ethyl]-1-methylpyrazol-3-yl]pentan-2-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(CCc2cc(CCCC(C)c3cc(C)on3)nn2C)n(C)n1
InChIInChI=1S/C20H29N5O/c1-14(20-12-16(3)26-23-20)7-6-8-17-13-19(25(5)22-17)10-9-18-11-15(2)21-24(18)4/h11-14H,6-10H2,1-5H3
InChIKeyNQDCPHFTWIBNLY-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.67
Rot. Bonds8

About 3-[5-[5-[2-(2,5-dimethylpyrazol-3-yl)ethyl]-1-methylpyrazol-3-yl]pentan-2-yl]-5-methyl-1,2-oxazole

3-[5-[5-[2-(2,5-dimethylpyrazol-3-yl)ethyl]-1-methylpyrazol-3-yl]pentan-2-yl]-5-methyl-1,2-oxazole (PubChem CID 145188649) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 3-[5-[5-[2-(2,5-dimethylpyrazol-3-yl)ethyl]-1-methylpyrazol-3-yl]pentan-2-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[5-[5-[2-(2,5-dimethylpyrazol-3-yl)ethyl]-1-methylpyrazol-3-yl]pentan-2-yl]-5-methyl-1,2-oxazole
PubChem CID145188649
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name3-[5-[5-[2-(2,5-dimethylpyrazol-3-yl)ethyl]-1-methylpyrazol-3-yl]pentan-2-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(CCc2cc(CCCC(C)c3cc(C)on3)nn2C)n(C)n1
InChIInChI=1S/C20H29N5O/c1-14(20-12-16(3)26-23-20)7-6-8-17-13-19(25(5)22-17)10-9-18-11-15(2)21-24(18)4/h11-14H,6-10H2,1-5H3
InChIKeyNQDCPHFTWIBNLY-UHFFFAOYSA-N
XLogP3.67
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-3-(4-methylpentyl)-1,2-oxazole
CID 58970609
N-methyl-2-(5-methyl-1,2-oxazol-3-yl)propan-1-amine
CID 83826432
3-(1-methyl-5-propylpyrazol-3-yl)propan-1-amine
CID 105439768
3-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]propan-1-ol
CID 115092133
2-[(2,5-dimethylpyrazol-3-yl)methylsulfinyl]propan-1-amine
CID 81188172
3-(1-iodoethyl)-5-methyl-1,2-oxazole
CID 122594172
5-(chloromethyl)-1,3-dimethylpyrazole
CID 4961270
[1-(2,5-dimethylpyrazol-3-yl)-5-thiophen-2-ylpentan-2-yl]hydrazine
CID 105315827
3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]-2-methylpropan-1-amine
CID 81202382
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79358821
(1S)-1-(5-methyl-1,2-oxazol-3-yl)propane-1,3-diol
CID 142479631
5-methyl-3-(2-methylpentan-3-yl)-1,2-oxazole
CID 166844258

Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-[2-(2,5-dimethylpyrazol-3-yl)ethyl]-1-methylpyrazol-3-yl]pentan-2-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[5-[5-[2-(2,5-dimethylpyrazol-3-yl)ethyl]-1-methylpyrazol-3-yl]pentan-2-yl]-5-methyl-1,2-oxazole (CID 145188649) is 3-[5-[5-[2-(2,5-dimethylpyrazol-3-yl)ethyl]-1-methylpyrazol-3-yl]pentan-2-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[5-[5-[2-(2,5-dimethylpyrazol-3-yl)ethyl]-1-methylpyrazol-3-yl]pentan-2-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[5-[5-[2-(2,5-dimethylpyrazol-3-yl)ethyl]-1-methylpyrazol-3-yl]pentan-2-yl]-5-methyl-1,2-oxazole is Cc1cc(CCc2cc(CCCC(C)c3cc(C)on3)nn2C)n(C)n1.
What is the InChIKey of 3-[5-[5-[2-(2,5-dimethylpyrazol-3-yl)ethyl]-1-methylpyrazol-3-yl]pentan-2-yl]-5-methyl-1,2-oxazole?
The InChIKey is NQDCPHFTWIBNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-14(20-12-16(3)26-23-20)7-6-8-17-13-19(25(5)22-17)10-9-18-11-15(2)21-24(18)4/h11-14H,6-10H2,1-5H3.
What are the key properties of 3-[5-[5-[2-(2,5-dimethylpyrazol-3-yl)ethyl]-1-methylpyrazol-3-yl]pentan-2-yl]-5-methyl-1,2-oxazole?
3-[5-[5-[2-(2,5-dimethylpyrazol-3-yl)ethyl]-1-methylpyrazol-3-yl]pentan-2-yl]-5-methyl-1,2-oxazole has a molecular weight of 355.49 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-[2-(2,5-dimethylpyrazol-3-yl)ethyl]-1-methylpyrazol-3-yl]pentan-2-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 145188649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).