2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide

C21H18N4O3 — CID 122262368

IUPAC2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
SMILESCOc1ccc(-c2cc(CNC(=O)Cc3noc4ccccc34)ncn2)cc1
InChIInChI=1S/C21H18N4O3/c1-27-16-8-6-14(7-9-16)18-10-15(23-13-24-18)12-22-21(26)11-19-17-4-2-3-5-20(17)28-25-19/h2-10,13H,11-12H2,1H3,(H,22,26)
InChIKeyFSFDJQRNIFFZHY-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.15
Rot. Bonds6

About 2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide (PubChem CID 122262368) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
PubChem CID122262368
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
SMILESCOc1ccc(-c2cc(CNC(=O)Cc3noc4ccccc34)ncn2)cc1
InChIInChI=1S/C21H18N4O3/c1-27-16-8-6-14(7-9-16)18-10-15(23-13-24-18)12-22-21(26)11-19-17-4-2-3-5-20(17)28-25-19/h2-10,13H,11-12H2,1H3,(H,22,26)
InChIKeyFSFDJQRNIFFZHY-UHFFFAOYSA-N
XLogP3.15
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263355
2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261746
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide
CID 122262240
2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262243
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2-oxochromene-3-carboxamide
CID 122262283
2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262517
2-(1,2-benzoxazol-3-yl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 46461744
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 122262505
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3,5-dimethylbenzamide
CID 122262330
1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea
CID 122262605
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide (CID 122262368) is 2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide is COc1ccc(-c2cc(CNC(=O)Cc3noc4ccccc34)ncn2)cc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide?
The InChIKey is FSFDJQRNIFFZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-16-8-6-14(7-9-16)18-10-15(23-13-24-18)12-22-21(26)11-19-17-4-2-3-5-20(17)28-25-19/h2-10,13H,11-12H2,1H3,(H,22,26).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide has a molecular weight of 374.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide is sourced from PubChem (CID 122262368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).