2-[(2-fluorophenyl)methyl]-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-1,3-benzoxazole-6-carboxamide

C23H18FN5O2 — CID 42098394

IUPAC2-[(2-fluorophenyl)methyl]-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCCc1cn2cccnc2n1)c1ccc2nc(Cc3ccccc3F)oc2c1
InChIInChI=1S/C23H18FN5O2/c24-18-5-2-1-4-15(18)13-21-28-19-7-6-16(12-20(19)31-21)22(30)25-10-8-17-14-29-11-3-9-26-23(29)27-17/h1-7,9,11-12,14H,8,10,13H2,(H,25,30)
InChIKeyQMAOHWCACBBEQA-UHFFFAOYSA-N
MW415.43 g/mol
LogP3.57
Rot. Bonds6

About 2-[(2-fluorophenyl)methyl]-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-1,3-benzoxazole-6-carboxamide

2-[(2-fluorophenyl)methyl]-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 42098394) has the molecular formula C23H18FN5O2 and a molecular weight of 415.43 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-1,3-benzoxazole-6-carboxamide
PubChem CID42098394
Molecular FormulaC23H18FN5O2
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC Name2-[(2-fluorophenyl)methyl]-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-1,3-benzoxazole-6-carboxamide
SMILESO=C(NCCc1cn2cccnc2n1)c1ccc2nc(Cc3ccccc3F)oc2c1
InChIInChI=1S/C23H18FN5O2/c24-18-5-2-1-4-15(18)13-21-28-19-7-6-16(12-20(19)31-21)22(30)25-10-8-17-14-29-11-3-9-26-23(29)27-17/h1-7,9,11-12,14H,8,10,13H2,(H,25,30)
InChIKeyQMAOHWCACBBEQA-UHFFFAOYSA-N
XLogP3.57
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089639
N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-4-propan-2-ylbenzamide
CID 126842056
N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 46354270
N-[2-(2-fluorophenyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 110765045
2-benzyl-N-(2-thiophen-2-ylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089382
2-[(3-chlorophenyl)methyl]-N-(2-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 53089650
2-[(2-fluorophenyl)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3-benzoxazole-6-carboxamide
CID 24791182
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide
CID 110711789
N-(2-phenylethyl)-2-pyridin-2-yl-1,3-benzoxazole-6-carboxamide
CID 134798841
4-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429046
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172463
N-[2-(azepan-1-yl)ethyl]-2-benzyl-1,3-benzoxazole-6-carboxamide
CID 53089357

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-1,3-benzoxazole-6-carboxamide (CID 42098394) is 2-[(2-fluorophenyl)methyl]-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-1,3-benzoxazole-6-carboxamide is O=C(NCCc1cn2cccnc2n1)c1ccc2nc(Cc3ccccc3F)oc2c1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is QMAOHWCACBBEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2/c24-18-5-2-1-4-15(18)13-21-28-19-7-6-16(12-20(19)31-21)22(30)25-10-8-17-14-29-11-3-9-26-23(29)27-17/h1-7,9,11-12,14H,8,10,13H2,(H,25,30).
What are the key properties of 2-[(2-fluorophenyl)methyl]-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-1,3-benzoxazole-6-carboxamide?
2-[(2-fluorophenyl)methyl]-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 415.43 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 42098394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).