3-[1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole

C22H28N4O2 — CID 47001732

IUPAC3-[1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
SMILESCCCc1cc(C2CCCN2Cc2cn[nH]c2-c2ccc(OCC)cc2)no1
InChIInChI=1S/C22H28N4O2/c1-3-6-19-13-20(25-28-19)21-7-5-12-26(21)15-17-14-23-24-22(17)16-8-10-18(11-9-16)27-4-2/h8-11,13-14,21H,3-7,12,15H2,1-2H3,(H,23,24)
InChIKeyMZNFJTPEOSUFSZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.75
Rot. Bonds8

About 3-[1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole

3-[1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole (PubChem CID 47001732) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-[1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole.

Molecular Properties

Compound Name3-[1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
PubChem CID47001732
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name3-[1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
SMILESCCCc1cc(C2CCCN2Cc2cn[nH]c2-c2ccc(OCC)cc2)no1
InChIInChI=1S/C22H28N4O2/c1-3-6-19-13-20(25-28-19)21-7-5-12-26(21)15-17-14-23-24-22(17)16-8-10-18(11-9-16)27-4-2/h8-11,13-14,21H,3-7,12,15H2,1-2H3,(H,23,24)
InChIKeyMZNFJTPEOSUFSZ-UHFFFAOYSA-N
XLogP4.75
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732152
3-[(2R)-1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732168
3-[(2R)-1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732217
3-[(2S)-1-[(5-bromo-2-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92732280
3-[1-[(2-bromophenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809530
3-[1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809513
3-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809446
2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
CID 42193708
3-[1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809397
3-[(2R)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92502965
3-methyl-5-[(2S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95997491
4-[1-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 50809588

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole?
The IUPAC name of 3-[1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole (CID 47001732) is 3-[1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole.
What is the SMILES notation for 3-[1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole?
The canonical SMILES for 3-[1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole is CCCc1cc(C2CCCN2Cc2cn[nH]c2-c2ccc(OCC)cc2)no1.
What is the InChIKey of 3-[1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole?
The InChIKey is MZNFJTPEOSUFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-3-6-19-13-20(25-28-19)21-7-5-12-26(21)15-17-14-23-24-22(17)16-8-10-18(11-9-16)27-4-2/h8-11,13-14,21H,3-7,12,15H2,1-2H3,(H,23,24).
What are the key properties of 3-[1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole?
3-[1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole has a molecular weight of 380.49 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole is sourced from PubChem (CID 47001732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).