2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide

C15H22N4O2 — CID 119893522

IUPAC2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc2oc(N(C)C)nc2c1
InChIInChI=1S/C15H22N4O2/c1-5-9(2)13(16)14(20)17-10-6-7-12-11(8-10)18-15(21-12)19(3)4/h6-9,13H,5,16H2,1-4H3,(H,17,20)
InChIKeySAQUEOCUPKGHBH-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.21
Rot. Bonds5

About 2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide

2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide (PubChem CID 119893522) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide
PubChem CID119893522
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc2oc(N(C)C)nc2c1
InChIInChI=1S/C15H22N4O2/c1-5-9(2)13(16)14(20)17-10-6-7-12-11(8-10)18-15(21-12)19(3)4/h6-9,13H,5,16H2,1-4H3,(H,17,20)
InChIKeySAQUEOCUPKGHBH-UHFFFAOYSA-N
XLogP2.21
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)pentanamide
CID 61179344
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 60944281
2-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-3-methylpentanamide
CID 119815470
(2S,3S)-2-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 61178533
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120801059
(2S,3S)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide
CID 39951551
N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-(methylamino)butanamide
CID 119893477
2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide
CID 43711177
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
CID 43710375
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide (CID 119893522) is 2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide is CCC(C)C(N)C(=O)Nc1ccc2oc(N(C)C)nc2c1.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide?
The InChIKey is SAQUEOCUPKGHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-5-9(2)13(16)14(20)17-10-6-7-12-11(8-10)18-15(21-12)19(3)4/h6-9,13H,5,16H2,1-4H3,(H,17,20).
What are the key properties of 2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide?
2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide has a molecular weight of 290.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide is sourced from PubChem (CID 119893522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).