2-butyl-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-5-carboxamide

C20H23N3O2 — CID 24791130

IUPAC2-butyl-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-5-carboxamide
SMILESCCCCc1nc2cc(C(=O)N(C)C(C)c3ccccn3)ccc2o1
InChIInChI=1S/C20H23N3O2/c1-4-5-9-19-22-17-13-15(10-11-18(17)25-19)20(24)23(3)14(2)16-8-6-7-12-21-16/h6-8,10-14H,4-5,9H2,1-3H3
InChIKeyNORHRAWDKURUCK-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.40
Rot. Bonds6

About 2-butyl-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-5-carboxamide

2-butyl-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 24791130) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-butyl-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-5-carboxamide
PubChem CID24791130
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-butyl-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-5-carboxamide
SMILESCCCCc1nc2cc(C(=O)N(C)C(C)c3ccccn3)ccc2o1
InChIInChI=1S/C20H23N3O2/c1-4-5-9-19-22-17-13-15(10-11-18(17)25-19)20(24)23(3)14(2)16-8-6-7-12-21-16/h6-8,10-14H,4-5,9H2,1-3H3
InChIKeyNORHRAWDKURUCK-UHFFFAOYSA-N
XLogP4.40
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-butyl-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-5-carboxamide (CID 24791130) is 2-butyl-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-butyl-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-5-carboxamide is CCCCc1nc2cc(C(=O)N(C)C(C)c3ccccn3)ccc2o1.
What is the InChIKey of 2-butyl-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is NORHRAWDKURUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-5-9-19-22-17-13-15(10-11-18(17)25-19)20(24)23(3)14(2)16-8-6-7-12-21-16/h6-8,10-14H,4-5,9H2,1-3H3.
What are the key properties of 2-butyl-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-5-carboxamide?
2-butyl-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-methyl-N-(1-pyridin-2-ylethyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 24791130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).