2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide

C22H23ClFN3O3 — CID 20949297

IUPAC2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESO=C(Cn1c(=O)oc2cc(Cl)ccc21)NCC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C22H23ClFN3O3/c23-17-5-6-19-20(11-17)30-22(29)27(19)14-21(28)25-12-15-7-9-26(10-8-15)13-16-3-1-2-4-18(16)24/h1-6,11,15H,7-10,12-14H2,(H,25,28)
InChIKeyMPUSPXQRQHTYAA-UHFFFAOYSA-N
MW431.90 g/mol
LogP3.42
Rot. Bonds6

About 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide (PubChem CID 20949297) has the molecular formula C22H23ClFN3O3 and a molecular weight of 431.90 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide
PubChem CID20949297
Molecular FormulaC22H23ClFN3O3
Molecular Weight431.90 g/mol
Exact Mass431.14
IUPAC Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide
SMILESO=C(Cn1c(=O)oc2cc(Cl)ccc21)NCC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C22H23ClFN3O3/c23-17-5-6-19-20(11-17)30-22(29)27(19)14-21(28)25-12-15-7-9-26(10-8-15)13-16-3-1-2-4-18(16)24/h1-6,11,15H,7-10,12-14H2,(H,25,28)
InChIKeyMPUSPXQRQHTYAA-UHFFFAOYSA-N
XLogP3.42
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8986901
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 51498344
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide
CID 8986163
benzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methylazanium
CID 5092486
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 20949278
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 9143727
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 26331061
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 46963246
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 17400266
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
CID 8986285
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 75423564
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1-methylpiperidin-3-yl]acetamide
CID 51497975

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide (CID 20949297) is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide is O=C(Cn1c(=O)oc2cc(Cl)ccc21)NCC1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is MPUSPXQRQHTYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O3/c23-17-5-6-19-20(11-17)30-22(29)27(19)14-21(28)25-12-15-7-9-26(10-8-15)13-16-3-1-2-4-18(16)24/h1-6,11,15H,7-10,12-14H2,(H,25,28).
What are the key properties of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide?
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 431.90 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 20949297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).