2-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide

C20H17FN4O2 — CID 42341545

IUPAC2-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
SMILESCn1cc(CCNC(=O)c2ccc3oc(-c4cccc(F)c4)nc3c2)cn1
InChIInChI=1S/C20H17FN4O2/c1-25-12-13(11-23-25)7-8-22-19(26)14-5-6-18-17(10-14)24-20(27-18)15-3-2-4-16(21)9-15/h2-6,9-12H,7-8H2,1H3,(H,22,26)
InChIKeyFPWYFTQTMIMLEE-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.34
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide

2-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide (PubChem CID 42341545) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
PubChem CID42341545
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name2-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
SMILESCn1cc(CCNC(=O)c2ccc3oc(-c4cccc(F)c4)nc3c2)cn1
InChIInChI=1S/C20H17FN4O2/c1-25-12-13(11-23-25)7-8-22-19(26)14-5-6-18-17(10-14)24-20(27-18)15-3-2-4-16(21)9-15/h2-6,9-12H,7-8H2,1H3,(H,22,26)
InChIKeyFPWYFTQTMIMLEE-UHFFFAOYSA-N
XLogP3.34
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide (CID 42341545) is 2-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide is Cn1cc(CCNC(=O)c2ccc3oc(-c4cccc(F)c4)nc3c2)cn1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is FPWYFTQTMIMLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-25-12-13(11-23-25)7-8-22-19(26)14-5-6-18-17(10-14)24-20(27-18)15-3-2-4-16(21)9-15/h2-6,9-12H,7-8H2,1H3,(H,22,26).
What are the key properties of 2-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide?
2-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 42341545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).