2-(methoxymethyl)-5-(3-pyrazol-1-ylphenyl)-1,3-benzoxazole

C18H15N3O2 — CID 56720070

IUPAC2-(methoxymethyl)-5-(3-pyrazol-1-ylphenyl)-1,3-benzoxazole
SMILESCOCc1nc2cc(-c3cccc(-n4cccn4)c3)ccc2o1
InChIInChI=1S/C18H15N3O2/c1-22-12-18-20-16-11-14(6-7-17(16)23-18)13-4-2-5-15(10-13)21-9-3-8-19-21/h2-11H,12H2,1H3
InChIKeyFZNXOQVWYPRAFY-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.83
Rot. Bonds4

About 2-(methoxymethyl)-5-(3-pyrazol-1-ylphenyl)-1,3-benzoxazole

2-(methoxymethyl)-5-(3-pyrazol-1-ylphenyl)-1,3-benzoxazole (PubChem CID 56720070) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-(3-pyrazol-1-ylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(methoxymethyl)-5-(3-pyrazol-1-ylphenyl)-1,3-benzoxazole
PubChem CID56720070
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-(methoxymethyl)-5-(3-pyrazol-1-ylphenyl)-1,3-benzoxazole
SMILESCOCc1nc2cc(-c3cccc(-n4cccn4)c3)ccc2o1
InChIInChI=1S/C18H15N3O2/c1-22-12-18-20-16-11-14(6-7-17(16)23-18)13-4-2-5-15(10-13)21-9-3-8-19-21/h2-11H,12H2,1H3
InChIKeyFZNXOQVWYPRAFY-UHFFFAOYSA-N
XLogP3.83
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide
CID 24790749
2-butyl-N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 24794231
4-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-1-phenyl-1H-pyrazole-3-carboxylic acid
CID 23402759
3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 44564855
5-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 44564899
(1-methylindol-3-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
CID 66613304
2-[3-[4-(4,5-Diphenyl-1,3-oxazol-2-yl)-1-methylpyrazol-3-yl]phenoxy]acetic acid
CID 14971845
2-(2-methoxyethyl)-N-methyl-N-[3-(1H-pyrazol-1-yl)benzyl]-1,3-benzoxazole-6-carboxamide
CID 24790588
2-butyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 24791010
N-[(1-ethylpyrazol-4-yl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 24791739
N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 24793866
US9138494, Example 3
CID 118375232

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-(3-pyrazol-1-ylphenyl)-1,3-benzoxazole?
The IUPAC name of 2-(methoxymethyl)-5-(3-pyrazol-1-ylphenyl)-1,3-benzoxazole (CID 56720070) is 2-(methoxymethyl)-5-(3-pyrazol-1-ylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(methoxymethyl)-5-(3-pyrazol-1-ylphenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(methoxymethyl)-5-(3-pyrazol-1-ylphenyl)-1,3-benzoxazole is COCc1nc2cc(-c3cccc(-n4cccn4)c3)ccc2o1.
What is the InChIKey of 2-(methoxymethyl)-5-(3-pyrazol-1-ylphenyl)-1,3-benzoxazole?
The InChIKey is FZNXOQVWYPRAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-22-12-18-20-16-11-14(6-7-17(16)23-18)13-4-2-5-15(10-13)21-9-3-8-19-21/h2-11H,12H2,1H3.
What are the key properties of 2-(methoxymethyl)-5-(3-pyrazol-1-ylphenyl)-1,3-benzoxazole?
2-(methoxymethyl)-5-(3-pyrazol-1-ylphenyl)-1,3-benzoxazole has a molecular weight of 305.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-(3-pyrazol-1-ylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 56720070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).