N-tert-butyl-2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]acetamide

C15H20ClN3O3 — CID 17425687

IUPACN-tert-butyl-2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)Cn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClN3O3/c1-15(2,3)17-13(20)8-18(4)9-19-11-6-5-10(16)7-12(11)22-14(19)21/h5-7H,8-9H2,1-4H3,(H,17,20)
InChIKeyCZDTWWMWOOKRHF-UHFFFAOYSA-N
MW325.80 g/mol
LogP2.05
Rot. Bonds4

About N-tert-butyl-2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]acetamide

N-tert-butyl-2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]acetamide (PubChem CID 17425687) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is N-tert-butyl-2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]acetamide
PubChem CID17425687
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC NameN-tert-butyl-2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)Cn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClN3O3/c1-15(2,3)17-13(20)8-18(4)9-19-11-6-5-10(16)7-12(11)22-14(19)21/h5-7H,8-9H2,1-4H3,(H,17,20)
InChIKeyCZDTWWMWOOKRHF-UHFFFAOYSA-N
XLogP2.05
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]acetamide (CID 17425687) is N-tert-butyl-2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]acetamide is CN(CC(=O)NC(C)(C)C)Cn1c(=O)oc2cc(Cl)ccc21.
What is the InChIKey of N-tert-butyl-2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]acetamide?
The InChIKey is CZDTWWMWOOKRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-15(2,3)17-13(20)8-18(4)9-19-11-6-5-10(16)7-12(11)22-14(19)21/h5-7H,8-9H2,1-4H3,(H,17,20).
What are the key properties of N-tert-butyl-2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]acetamide?
N-tert-butyl-2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]acetamide has a molecular weight of 325.80 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 17425687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).