N-cyclopropyl-4-methyl-3-(3-piperidin-1-yl-1,2-benzoxazol-6-yl)benzamide

C23H25N3O2 — CID 70689029

IUPACN-cyclopropyl-4-methyl-3-(3-piperidin-1-yl-1,2-benzoxazol-6-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(N3CCCCC3)noc2c1
InChIInChI=1S/C23H25N3O2/c1-15-5-6-17(23(27)24-18-8-9-18)13-20(15)16-7-10-19-21(14-16)28-25-22(19)26-11-3-2-4-12-26/h5-7,10,13-14,18H,2-4,8-9,11-12H2,1H3,(H,24,27)
InChIKeyFXOBUENNLVQGAF-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.69
Rot. Bonds4

About N-cyclopropyl-4-methyl-3-(3-piperidin-1-yl-1,2-benzoxazol-6-yl)benzamide

N-cyclopropyl-4-methyl-3-(3-piperidin-1-yl-1,2-benzoxazol-6-yl)benzamide (PubChem CID 70689029) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-(3-piperidin-1-yl-1,2-benzoxazol-6-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-(3-piperidin-1-yl-1,2-benzoxazol-6-yl)benzamide
PubChem CID70689029
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-cyclopropyl-4-methyl-3-(3-piperidin-1-yl-1,2-benzoxazol-6-yl)benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(N3CCCCC3)noc2c1
InChIInChI=1S/C23H25N3O2/c1-15-5-6-17(23(27)24-18-8-9-18)13-20(15)16-7-10-19-21(14-16)28-25-22(19)26-11-3-2-4-12-26/h5-7,10,13-14,18H,2-4,8-9,11-12H2,1H3,(H,24,27)
InChIKeyFXOBUENNLVQGAF-UHFFFAOYSA-N
XLogP4.69
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-(3-piperidin-1-yl-1,2-benzoxazol-6-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-(3-piperidin-1-yl-1,2-benzoxazol-6-yl)benzamide (CID 70689029) is N-cyclopropyl-4-methyl-3-(3-piperidin-1-yl-1,2-benzoxazol-6-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-(3-piperidin-1-yl-1,2-benzoxazol-6-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-(3-piperidin-1-yl-1,2-benzoxazol-6-yl)benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(N3CCCCC3)noc2c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-(3-piperidin-1-yl-1,2-benzoxazol-6-yl)benzamide?
The InChIKey is FXOBUENNLVQGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-5-6-17(23(27)24-18-8-9-18)13-20(15)16-7-10-19-21(14-16)28-25-22(19)26-11-3-2-4-12-26/h5-7,10,13-14,18H,2-4,8-9,11-12H2,1H3,(H,24,27).
What are the key properties of N-cyclopropyl-4-methyl-3-(3-piperidin-1-yl-1,2-benzoxazol-6-yl)benzamide?
N-cyclopropyl-4-methyl-3-(3-piperidin-1-yl-1,2-benzoxazol-6-yl)benzamide has a molecular weight of 375.47 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-(3-piperidin-1-yl-1,2-benzoxazol-6-yl)benzamide is sourced from PubChem (CID 70689029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).