N-(7-chloro-2-methyl-1-benzofuran-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide

C19H17ClN4O3 — CID 46975556

IUPACN-(7-chloro-2-methyl-1-benzofuran-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(-c2cc(C(=O)Nc3cc(Cl)c4oc(C)cc4c3)on2)c1C
InChIInChI=1S/C19H17ClN4O3/c1-4-24-11(3)14(9-21-24)16-8-17(27-23-16)19(25)22-13-6-12-5-10(2)26-18(12)15(20)7-13/h5-9H,4H2,1-3H3,(H,22,25)
InChIKeyQECAYWFVBUAQFX-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.83
Rot. Bonds4

About N-(7-chloro-2-methyl-1-benzofuran-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide

N-(7-chloro-2-methyl-1-benzofuran-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide (PubChem CID 46975556) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is N-(7-chloro-2-methyl-1-benzofuran-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-2-methyl-1-benzofuran-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
PubChem CID46975556
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC NameN-(7-chloro-2-methyl-1-benzofuran-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(-c2cc(C(=O)Nc3cc(Cl)c4oc(C)cc4c3)on2)c1C
InChIInChI=1S/C19H17ClN4O3/c1-4-24-11(3)14(9-21-24)16-8-17(27-23-16)19(25)22-13-6-12-5-10(2)26-18(12)15(20)7-13/h5-9H,4H2,1-3H3,(H,22,25)
InChIKeyQECAYWFVBUAQFX-UHFFFAOYSA-N
XLogP4.83
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-2-methyl-1-benzofuran-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(7-chloro-2-methyl-1-benzofuran-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide (CID 46975556) is N-(7-chloro-2-methyl-1-benzofuran-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(7-chloro-2-methyl-1-benzofuran-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(7-chloro-2-methyl-1-benzofuran-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide is CCn1ncc(-c2cc(C(=O)Nc3cc(Cl)c4oc(C)cc4c3)on2)c1C.
What is the InChIKey of N-(7-chloro-2-methyl-1-benzofuran-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is QECAYWFVBUAQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-4-24-11(3)14(9-21-24)16-8-17(27-23-16)19(25)22-13-6-12-5-10(2)26-18(12)15(20)7-13/h5-9H,4H2,1-3H3,(H,22,25).
What are the key properties of N-(7-chloro-2-methyl-1-benzofuran-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide?
N-(7-chloro-2-methyl-1-benzofuran-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-2-methyl-1-benzofuran-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46975556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).