2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide

C22H22N4O3 — CID 86266510

IUPAC2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide
SMILESCn1nc(CN(Cc2ccco2)C(=O)Cc2noc3ccccc23)c2c1CCC2
InChIInChI=1S/C22H22N4O3/c1-25-20-9-4-8-16(20)19(23-25)14-26(13-15-6-5-11-28-15)22(27)12-18-17-7-2-3-10-21(17)29-24-18/h2-3,5-7,10-11H,4,8-9,12-14H2,1H3
InChIKeyQLPKNJHZBGPZJP-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.41
Rot. Bonds6

About 2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide (PubChem CID 86266510) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide
PubChem CID86266510
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide
SMILESCn1nc(CN(Cc2ccco2)C(=O)Cc2noc3ccccc23)c2c1CCC2
InChIInChI=1S/C22H22N4O3/c1-25-20-9-4-8-16(20)19(23-25)14-26(13-15-6-5-11-28-15)22(27)12-18-17-7-2-3-10-21(17)29-24-18/h2-3,5-7,10-11H,4,8-9,12-14H2,1H3
InChIKeyQLPKNJHZBGPZJP-UHFFFAOYSA-N
XLogP3.41
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide (CID 86266510) is 2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide is Cn1nc(CN(Cc2ccco2)C(=O)Cc2noc3ccccc23)c2c1CCC2.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide?
The InChIKey is QLPKNJHZBGPZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-25-20-9-4-8-16(20)19(23-25)14-26(13-15-6-5-11-28-15)22(27)12-18-17-7-2-3-10-21(17)29-24-18/h2-3,5-7,10-11H,4,8-9,12-14H2,1H3.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide has a molecular weight of 390.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(furan-2-ylmethyl)-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 86266510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).