N-tert-butyl-2-[[2-(piperidin-4-ylamino)-1,3-benzoxazol-5-yl]oxy]acetamide

C18H26N4O3 — CID 66912263

IUPACN-tert-butyl-2-[[2-(piperidin-4-ylamino)-1,3-benzoxazol-5-yl]oxy]acetamide
SMILESCC(C)(C)NC(=O)COc1ccc2oc(NC3CCNCC3)nc2c1
InChIInChI=1S/C18H26N4O3/c1-18(2,3)22-16(23)11-24-13-4-5-15-14(10-13)21-17(25-15)20-12-6-8-19-9-7-12/h4-5,10,12,19H,6-9,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyDNOALULYTWLCGD-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.29
Rot. Bonds5

About N-tert-butyl-2-[[2-(piperidin-4-ylamino)-1,3-benzoxazol-5-yl]oxy]acetamide

N-tert-butyl-2-[[2-(piperidin-4-ylamino)-1,3-benzoxazol-5-yl]oxy]acetamide (PubChem CID 66912263) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(piperidin-4-ylamino)-1,3-benzoxazol-5-yl]oxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(piperidin-4-ylamino)-1,3-benzoxazol-5-yl]oxy]acetamide
PubChem CID66912263
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-tert-butyl-2-[[2-(piperidin-4-ylamino)-1,3-benzoxazol-5-yl]oxy]acetamide
SMILESCC(C)(C)NC(=O)COc1ccc2oc(NC3CCNCC3)nc2c1
InChIInChI=1S/C18H26N4O3/c1-18(2,3)22-16(23)11-24-13-4-5-15-14(10-13)21-17(25-15)20-12-6-8-19-9-7-12/h4-5,10,12,19H,6-9,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyDNOALULYTWLCGD-UHFFFAOYSA-N
XLogP2.29
TPSA88.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(piperidin-4-ylamino)-1,3-benzoxazol-5-yl]oxy]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-(piperidin-4-ylamino)-1,3-benzoxazol-5-yl]oxy]acetamide (CID 66912263) is N-tert-butyl-2-[[2-(piperidin-4-ylamino)-1,3-benzoxazol-5-yl]oxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(piperidin-4-ylamino)-1,3-benzoxazol-5-yl]oxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-(piperidin-4-ylamino)-1,3-benzoxazol-5-yl]oxy]acetamide is CC(C)(C)NC(=O)COc1ccc2oc(NC3CCNCC3)nc2c1.
What is the InChIKey of N-tert-butyl-2-[[2-(piperidin-4-ylamino)-1,3-benzoxazol-5-yl]oxy]acetamide?
The InChIKey is DNOALULYTWLCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-18(2,3)22-16(23)11-24-13-4-5-15-14(10-13)21-17(25-15)20-12-6-8-19-9-7-12/h4-5,10,12,19H,6-9,11H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of N-tert-butyl-2-[[2-(piperidin-4-ylamino)-1,3-benzoxazol-5-yl]oxy]acetamide?
N-tert-butyl-2-[[2-(piperidin-4-ylamino)-1,3-benzoxazol-5-yl]oxy]acetamide has a molecular weight of 346.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(piperidin-4-ylamino)-1,3-benzoxazol-5-yl]oxy]acetamide is sourced from PubChem (CID 66912263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).