N-butan-2-yl-6-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazole-3-carboxamide

C18H25N3O3 — CID 155558414

IUPACN-butan-2-yl-6-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazole-3-carboxamide
SMILESCCC(C)NC(=O)n1c(=O)oc2cc(C3CCN(C)CC3)ccc21
InChIInChI=1S/C18H25N3O3/c1-4-12(2)19-17(22)21-15-6-5-14(11-16(15)24-18(21)23)13-7-9-20(3)10-8-13/h5-6,11-13H,4,7-10H2,1-3H3,(H,19,22)
InChIKeySUBRQGRISMLPPU-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.76
Rot. Bonds3

About N-butan-2-yl-6-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazole-3-carboxamide

N-butan-2-yl-6-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazole-3-carboxamide (PubChem CID 155558414) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-butan-2-yl-6-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazole-3-carboxamide
PubChem CID155558414
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-butan-2-yl-6-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazole-3-carboxamide
SMILESCCC(C)NC(=O)n1c(=O)oc2cc(C3CCN(C)CC3)ccc21
InChIInChI=1S/C18H25N3O3/c1-4-12(2)19-17(22)21-15-6-5-14(11-16(15)24-18(21)23)13-7-9-20(3)10-8-13/h5-6,11-13H,4,7-10H2,1-3H3,(H,19,22)
InChIKeySUBRQGRISMLPPU-UHFFFAOYSA-N
XLogP2.76
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-6-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazole-3-carboxamide (CID 155558414) is N-butan-2-yl-6-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-6-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazole-3-carboxamide is CCC(C)NC(=O)n1c(=O)oc2cc(C3CCN(C)CC3)ccc21.
What is the InChIKey of N-butan-2-yl-6-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazole-3-carboxamide?
The InChIKey is SUBRQGRISMLPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-4-12(2)19-17(22)21-15-6-5-14(11-16(15)24-18(21)23)13-7-9-20(3)10-8-13/h5-6,11-13H,4,7-10H2,1-3H3,(H,19,22).
What are the key properties of N-butan-2-yl-6-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazole-3-carboxamide?
N-butan-2-yl-6-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazole-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(1-methylpiperidin-4-yl)-2-oxo-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 155558414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).