4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide

C16H23N3O2 — CID 120560417

IUPAC4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide
SMILESCC(N)CCC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1
InChIInChI=1S/C16H23N3O2/c1-10(17)5-8-14(20)18-11-6-7-13-12(9-11)19-15(21-13)16(2,3)4/h6-7,9-10H,5,8,17H2,1-4H3,(H,18,20)
InChIKeyZQJLGXMCANZJHA-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.19
Rot. Bonds4

About 4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide

4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide (PubChem CID 120560417) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide.

Molecular Properties

Compound Name4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide
PubChem CID120560417
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide
SMILESCC(N)CCC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1
InChIInChI=1S/C16H23N3O2/c1-10(17)5-8-14(20)18-11-6-7-13-12(9-11)19-15(21-13)16(2,3)4/h6-7,9-10H,5,8,17H2,1-4H3,(H,18,20)
InChIKeyZQJLGXMCANZJHA-UHFFFAOYSA-N
XLogP3.19
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-phenylpropanamide;hydrochloride
CID 119949951
2-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-methoxypropanamide
CID 120985693
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 46424556
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55637009
7-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]heptanamide
CID 119748980
N-(2-tert-butyl-1,3-benzoxazol-5-yl)pyridine-2-carboxamide
CID 46416181
1-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]urea
CID 97020241
1-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[1-(2,2,2-trifluoroethoxy)propan-2-yl]urea
CID 71883809
4-bromo-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56563265
1-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(1-hydroxypent-4-yn-2-yl)urea
CID 126820715
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
4-[(2-tert-butyl-1,3-benzoxazol-5-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672739

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide?
The IUPAC name of 4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide (CID 120560417) is 4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide.
What is the SMILES notation for 4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide?
The canonical SMILES for 4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide is CC(N)CCC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1.
What is the InChIKey of 4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide?
The InChIKey is ZQJLGXMCANZJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(17)5-8-14(20)18-11-6-7-13-12(9-11)19-15(21-13)16(2,3)4/h6-7,9-10H,5,8,17H2,1-4H3,(H,18,20).
What are the key properties of 4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide?
4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide has a molecular weight of 289.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide is sourced from PubChem (CID 120560417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).