pyrrolidin-1-yl-[2-(6-pyrrolidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazol-5-yl]methanone

C19H20N4O2S — CID 97446559

IUPACpyrrolidin-1-yl-[2-(6-pyrrolidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(-c2noc3cc(N4CCCC4)ccc23)s1)N1CCCC1
InChIInChI=1S/C19H20N4O2S/c24-19(23-9-3-4-10-23)16-12-20-18(26-16)17-14-6-5-13(11-15(14)25-21-17)22-7-1-2-8-22/h5-6,11-12H,1-4,7-10H2
InChIKeyAVCYPBOUKMQUBM-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.79
Rot. Bonds3

About pyrrolidin-1-yl-[2-(6-pyrrolidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazol-5-yl]methanone

pyrrolidin-1-yl-[2-(6-pyrrolidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazol-5-yl]methanone (PubChem CID 97446559) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is pyrrolidin-1-yl-[2-(6-pyrrolidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[2-(6-pyrrolidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazol-5-yl]methanone
PubChem CID97446559
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Namepyrrolidin-1-yl-[2-(6-pyrrolidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(-c2noc3cc(N4CCCC4)ccc23)s1)N1CCCC1
InChIInChI=1S/C19H20N4O2S/c24-19(23-9-3-4-10-23)16-12-20-18(26-16)17-14-6-5-13(11-15(14)25-21-17)22-7-1-2-8-22/h5-6,11-12H,1-4,7-10H2
InChIKeyAVCYPBOUKMQUBM-UHFFFAOYSA-N
XLogP3.79
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[2-(6-pyrrolidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[2-(6-pyrrolidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazol-5-yl]methanone (CID 97446559) is pyrrolidin-1-yl-[2-(6-pyrrolidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[2-(6-pyrrolidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[2-(6-pyrrolidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(-c2noc3cc(N4CCCC4)ccc23)s1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[2-(6-pyrrolidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazol-5-yl]methanone?
The InChIKey is AVCYPBOUKMQUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-19(23-9-3-4-10-23)16-12-20-18(26-16)17-14-6-5-13(11-15(14)25-21-17)22-7-1-2-8-22/h5-6,11-12H,1-4,7-10H2.
What are the key properties of pyrrolidin-1-yl-[2-(6-pyrrolidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazol-5-yl]methanone?
pyrrolidin-1-yl-[2-(6-pyrrolidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazol-5-yl]methanone has a molecular weight of 368.46 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[2-(6-pyrrolidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 97446559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).