2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide

C15H21N3O2 — CID 60944281

IUPAC2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
SMILESCCc1nc2cc(NC(=O)C(N)C(C)CC)ccc2o1
InChIInChI=1S/C15H21N3O2/c1-4-9(3)14(16)15(19)17-10-6-7-12-11(8-10)18-13(5-2)20-12/h6-9,14H,4-5,16H2,1-3H3,(H,17,19)
InChIKeyMIZVJHMYKNWNBB-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.70
Rot. Bonds5

About 2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide

2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide (PubChem CID 60944281) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
PubChem CID60944281
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
SMILESCCc1nc2cc(NC(=O)C(N)C(C)CC)ccc2o1
InChIInChI=1S/C15H21N3O2/c1-4-9(3)14(16)15(19)17-10-6-7-12-11(8-10)18-13(5-2)20-12/h6-9,14H,4-5,16H2,1-3H3,(H,17,19)
InChIKeyMIZVJHMYKNWNBB-UHFFFAOYSA-N
XLogP2.70
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide
CID 119815470
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
(2S,3S)-2-amino-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)pentanamide
CID 61179344
2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide
CID 119893522
(2S,3S)-2-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 61178533
3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide
CID 106111892
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)butanediamide;hydrochloride
CID 119956615
4-amino-5-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-5-oxopentanoic acid
CID 64888528
3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide
CID 62837775
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide
CID 60945682
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methylbutanamide;hydrochloride
CID 120502106

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide (CID 60944281) is 2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide is CCc1nc2cc(NC(=O)C(N)C(C)CC)ccc2o1.
What is the InChIKey of 2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide?
The InChIKey is MIZVJHMYKNWNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-9(3)14(16)15(19)17-10-6-7-12-11(8-10)18-13(5-2)20-12/h6-9,14H,4-5,16H2,1-3H3,(H,17,19).
What are the key properties of 2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide?
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide has a molecular weight of 275.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide is sourced from PubChem (CID 60944281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).