2-[1-(dimethylamino)pentan-3-yl]-1,3-benzoxazole-5-carboxamide

C15H21N3O2 — CID 71094983

IUPAC2-[1-(dimethylamino)pentan-3-yl]-1,3-benzoxazole-5-carboxamide
SMILESCCC(CCN(C)C)c1nc2cc(C(N)=O)ccc2o1
InChIInChI=1S/C15H21N3O2/c1-4-10(7-8-18(2)3)15-17-12-9-11(14(16)19)5-6-13(12)20-15/h5-6,9-10H,4,7-8H2,1-3H3,(H2,16,19)
InChIKeyLOZDWQPJZLXRIV-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.37
Rot. Bonds6

About 2-[1-(dimethylamino)pentan-3-yl]-1,3-benzoxazole-5-carboxamide

2-[1-(dimethylamino)pentan-3-yl]-1,3-benzoxazole-5-carboxamide (PubChem CID 71094983) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[1-(dimethylamino)pentan-3-yl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-(dimethylamino)pentan-3-yl]-1,3-benzoxazole-5-carboxamide
PubChem CID71094983
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[1-(dimethylamino)pentan-3-yl]-1,3-benzoxazole-5-carboxamide
SMILESCCC(CCN(C)C)c1nc2cc(C(N)=O)ccc2o1
InChIInChI=1S/C15H21N3O2/c1-4-10(7-8-18(2)3)15-17-12-9-11(14(16)19)5-6-13(12)20-15/h5-6,9-10H,4,7-8H2,1-3H3,(H2,16,19)
InChIKeyLOZDWQPJZLXRIV-UHFFFAOYSA-N
XLogP2.37
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 112786
CID 112786
CID 88733
CID 88733
CID 16179
CID 16179
CID 70030
CID 70030
CID 70039
CID 70039
CID 60832
CID 60832
CID 72352
CID 72352
CID 5332173
CID 5332173
CID 21884
CID 21884
CID 154899
CID 154899
CID 51346964
CID 51346964
CID 348698
CID 348698

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)pentan-3-yl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-[1-(dimethylamino)pentan-3-yl]-1,3-benzoxazole-5-carboxamide (CID 71094983) is 2-[1-(dimethylamino)pentan-3-yl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-[1-(dimethylamino)pentan-3-yl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-[1-(dimethylamino)pentan-3-yl]-1,3-benzoxazole-5-carboxamide is CCC(CCN(C)C)c1nc2cc(C(N)=O)ccc2o1.
What is the InChIKey of 2-[1-(dimethylamino)pentan-3-yl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is LOZDWQPJZLXRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-10(7-8-18(2)3)15-17-12-9-11(14(16)19)5-6-13(12)20-15/h5-6,9-10H,4,7-8H2,1-3H3,(H2,16,19).
What are the key properties of 2-[1-(dimethylamino)pentan-3-yl]-1,3-benzoxazole-5-carboxamide?
2-[1-(dimethylamino)pentan-3-yl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)pentan-3-yl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 71094983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).