5-[3-(1-tert-butyl-5-propylpyrazol-3-yl)cyclopenten-1-yl]-2-propan-2-yl-1,3-oxazole

C21H31N3O — CID 176949345

IUPAC5-[3-(1-tert-butyl-5-propylpyrazol-3-yl)cyclopenten-1-yl]-2-propan-2-yl-1,3-oxazole
SMILESCCCc1cc(C2C=C(c3cnc(C(C)C)o3)CC2)nn1C(C)(C)C
InChIInChI=1S/C21H31N3O/c1-7-8-17-12-18(23-24(17)21(4,5)6)15-9-10-16(11-15)19-13-22-20(25-19)14(2)3/h11-15H,7-10H2,1-6H3
InChIKeyIDCOVKCIFYZXPM-UHFFFAOYSA-N
MW341.50 g/mol
LogP5.66
Rot. Bonds5

About 5-[3-(1-tert-butyl-5-propylpyrazol-3-yl)cyclopenten-1-yl]-2-propan-2-yl-1,3-oxazole

5-[3-(1-tert-butyl-5-propylpyrazol-3-yl)cyclopenten-1-yl]-2-propan-2-yl-1,3-oxazole (PubChem CID 176949345) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 5-[3-(1-tert-butyl-5-propylpyrazol-3-yl)cyclopenten-1-yl]-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-[3-(1-tert-butyl-5-propylpyrazol-3-yl)cyclopenten-1-yl]-2-propan-2-yl-1,3-oxazole
PubChem CID176949345
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name5-[3-(1-tert-butyl-5-propylpyrazol-3-yl)cyclopenten-1-yl]-2-propan-2-yl-1,3-oxazole
SMILESCCCc1cc(C2C=C(c3cnc(C(C)C)o3)CC2)nn1C(C)(C)C
InChIInChI=1S/C21H31N3O/c1-7-8-17-12-18(23-24(17)21(4,5)6)15-9-10-16(11-15)19-13-22-20(25-19)14(2)3/h11-15H,7-10H2,1-6H3
InChIKeyIDCOVKCIFYZXPM-UHFFFAOYSA-N
XLogP5.66
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-tert-butyl-5-propylpyrazol-3-yl)propan-2-amine
CID 105481328
1-propan-2-yl-5-propylimidazole
CID 139308338
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate
CID 71936073
5-tert-butyl-2-propan-2-yl-1,3-oxazole
CID 23571128
1-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
CID 106387614
2,5-di(propan-2-yl)-1,3-oxazole
CID 21065018
5-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 99952578
5-(2,4-dichlorophenyl)-2-propan-2-yl-1,3-oxazole
CID 58979708
1-(1-propan-2-yl-5-propylpyrazol-3-yl)ethanamine
CID 105449463
3-cyclopropyl-5-iodo-1-propan-2-ylpyrazole
CID 139331075
1-tert-butyl-3-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pyrazole-5-carboxamide
CID 55758271
5-(3,4-dimethoxyphenyl)-2-propan-2-yl-1,3-oxazole
CID 13268419

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-tert-butyl-5-propylpyrazol-3-yl)cyclopenten-1-yl]-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 5-[3-(1-tert-butyl-5-propylpyrazol-3-yl)cyclopenten-1-yl]-2-propan-2-yl-1,3-oxazole (CID 176949345) is 5-[3-(1-tert-butyl-5-propylpyrazol-3-yl)cyclopenten-1-yl]-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 5-[3-(1-tert-butyl-5-propylpyrazol-3-yl)cyclopenten-1-yl]-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 5-[3-(1-tert-butyl-5-propylpyrazol-3-yl)cyclopenten-1-yl]-2-propan-2-yl-1,3-oxazole is CCCc1cc(C2C=C(c3cnc(C(C)C)o3)CC2)nn1C(C)(C)C.
What is the InChIKey of 5-[3-(1-tert-butyl-5-propylpyrazol-3-yl)cyclopenten-1-yl]-2-propan-2-yl-1,3-oxazole?
The InChIKey is IDCOVKCIFYZXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-7-8-17-12-18(23-24(17)21(4,5)6)15-9-10-16(11-15)19-13-22-20(25-19)14(2)3/h11-15H,7-10H2,1-6H3.
What are the key properties of 5-[3-(1-tert-butyl-5-propylpyrazol-3-yl)cyclopenten-1-yl]-2-propan-2-yl-1,3-oxazole?
5-[3-(1-tert-butyl-5-propylpyrazol-3-yl)cyclopenten-1-yl]-2-propan-2-yl-1,3-oxazole has a molecular weight of 341.50 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-tert-butyl-5-propylpyrazol-3-yl)cyclopenten-1-yl]-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 176949345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).