2-butyl-N-methyl-N-(oxan-4-yl)-1,3-benzoxazole-5-carboxamide

C18H24N2O3 — CID 24790508

IUPAC2-butyl-N-methyl-N-(oxan-4-yl)-1,3-benzoxazole-5-carboxamide
SMILESCCCCc1nc2cc(C(=O)N(C)C3CCOCC3)ccc2o1
InChIInChI=1S/C18H24N2O3/c1-3-4-5-17-19-15-12-13(6-7-16(15)23-17)18(21)20(2)14-8-10-22-11-9-14/h6-7,12,14H,3-5,8-11H2,1-2H3
InChIKeyHEHRXDWCFCTTFG-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.42
Rot. Bonds5

About 2-butyl-N-methyl-N-(oxan-4-yl)-1,3-benzoxazole-5-carboxamide

2-butyl-N-methyl-N-(oxan-4-yl)-1,3-benzoxazole-5-carboxamide (PubChem CID 24790508) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-butyl-N-methyl-N-(oxan-4-yl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-methyl-N-(oxan-4-yl)-1,3-benzoxazole-5-carboxamide
PubChem CID24790508
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-butyl-N-methyl-N-(oxan-4-yl)-1,3-benzoxazole-5-carboxamide
SMILESCCCCc1nc2cc(C(=O)N(C)C3CCOCC3)ccc2o1
InChIInChI=1S/C18H24N2O3/c1-3-4-5-17-19-15-12-13(6-7-16(15)23-17)18(21)20(2)14-8-10-22-11-9-14/h6-7,12,14H,3-5,8-11H2,1-2H3
InChIKeyHEHRXDWCFCTTFG-UHFFFAOYSA-N
XLogP3.42
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2,5-Dimethylbenzoxazole
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3-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
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Benzoxazole, 5-methyl-2-(4-methylphenyl)-
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CID 129138000
4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 350189
3-((7-Methyl-Benzoxazol-2-ylmethyl)amino)-5-ethyl-6-methlpyridin-2(1H)-one
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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-methyl-N-(oxan-4-yl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-butyl-N-methyl-N-(oxan-4-yl)-1,3-benzoxazole-5-carboxamide (CID 24790508) is 2-butyl-N-methyl-N-(oxan-4-yl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-methyl-N-(oxan-4-yl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-butyl-N-methyl-N-(oxan-4-yl)-1,3-benzoxazole-5-carboxamide is CCCCc1nc2cc(C(=O)N(C)C3CCOCC3)ccc2o1.
What is the InChIKey of 2-butyl-N-methyl-N-(oxan-4-yl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is HEHRXDWCFCTTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-4-5-17-19-15-12-13(6-7-16(15)23-17)18(21)20(2)14-8-10-22-11-9-14/h6-7,12,14H,3-5,8-11H2,1-2H3.
What are the key properties of 2-butyl-N-methyl-N-(oxan-4-yl)-1,3-benzoxazole-5-carboxamide?
2-butyl-N-methyl-N-(oxan-4-yl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 3.42, 5 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-(oxan-4-yl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 24790508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).