N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-(methylamino)butanamide

C14H20N4O2 — CID 119893477

IUPACN-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc2oc(N(C)C)nc2c1
InChIInChI=1S/C14H20N4O2/c1-15-8-4-5-13(19)16-10-6-7-12-11(9-10)17-14(20-12)18(2)3/h6-7,9,15H,4-5,8H2,1-3H3,(H,16,19)
InChIKeyRXOPYOWXJDRHCX-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.83
Rot. Bonds6

About N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-(methylamino)butanamide

N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-(methylamino)butanamide (PubChem CID 119893477) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-(methylamino)butanamide
PubChem CID119893477
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc2oc(N(C)C)nc2c1
InChIInChI=1S/C14H20N4O2/c1-15-8-4-5-13(19)16-10-6-7-12-11(9-10)17-14(20-12)18(2)3/h6-7,9,15H,4-5,8H2,1-3H3,(H,16,19)
InChIKeyRXOPYOWXJDRHCX-UHFFFAOYSA-N
XLogP1.83
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-3-methylpentanamide
CID 119893522
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]acetamide
CID 119893511
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744
N-[6-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
CID 60842943
6-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-6-oxohexanoic acid
CID 60933247
N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 71915783
4-chloro-N-[4-[(2-methyl-1,3-benzoxazol-5-yl)amino]-4-oxobutyl]benzamide
CID 37040476
N-(2-benzyl-1,3-benzoxazol-5-yl)pentanamide
CID 17163174
4-(methylamino)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110838149
N-(3,4-difluorophenyl)-4-(methylamino)butanamide
CID 60843097
2-(2-aminoethyl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide
CID 120647339

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-(methylamino)butanamide?
The IUPAC name of N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-(methylamino)butanamide (CID 119893477) is N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-(methylamino)butanamide?
The canonical SMILES for N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-(methylamino)butanamide is CNCCCC(=O)Nc1ccc2oc(N(C)C)nc2c1.
What is the InChIKey of N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-(methylamino)butanamide?
The InChIKey is RXOPYOWXJDRHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-15-8-4-5-13(19)16-10-6-7-12-11(9-10)17-14(20-12)18(2)3/h6-7,9,15H,4-5,8H2,1-3H3,(H,16,19).
What are the key properties of N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-(methylamino)butanamide?
N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-(methylamino)butanamide has a molecular weight of 276.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-4-(methylamino)butanamide is sourced from PubChem (CID 119893477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).