4-(methylamino)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butanamide

C14H19N3O2 — CID 115155728

IUPAC4-(methylamino)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butanamide
SMILESCNCCCC(=O)NCc1ccc2nc(C)oc2c1
InChIInChI=1S/C14H19N3O2/c1-10-17-12-6-5-11(8-13(12)19-10)9-16-14(18)4-3-7-15-2/h5-6,8,15H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyBJMRHAVNILJIET-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.75
Rot. Bonds6

About 4-(methylamino)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butanamide

4-(methylamino)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butanamide (PubChem CID 115155728) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(methylamino)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butanamide
PubChem CID115155728
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(methylamino)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butanamide
SMILESCNCCCC(=O)NCc1ccc2nc(C)oc2c1
InChIInChI=1S/C14H19N3O2/c1-10-17-12-6-5-11(8-13(12)19-10)9-16-14(18)4-3-7-15-2/h5-6,8,15H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyBJMRHAVNILJIET-UHFFFAOYSA-N
XLogP1.75
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methyl-1,3-benzoxazol-6-yl)methylamino]butanoic acid
CID 115218629
3-(3-methoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]propanamide
CID 110785147
2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 110794633
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791037
1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea
CID 115169390
2-(1H-indol-3-yl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 110794630
2-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzamide
CID 110785096
N-[(3,4-difluorophenyl)methyl]-4-(methylamino)butanamide
CID 54966098
3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide
CID 110791042
N-methyl-N'-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]methanediamine
CID 115227219
2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 110791067
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390584

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butanamide (CID 115155728) is 4-(methylamino)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butanamide is CNCCCC(=O)NCc1ccc2nc(C)oc2c1.
What is the InChIKey of 4-(methylamino)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butanamide?
The InChIKey is BJMRHAVNILJIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-17-12-6-5-11(8-13(12)19-10)9-16-14(18)4-3-7-15-2/h5-6,8,15H,3-4,7,9H2,1-2H3,(H,16,18).
What are the key properties of 4-(methylamino)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butanamide?
4-(methylamino)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butanamide has a molecular weight of 261.32 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butanamide is sourced from PubChem (CID 115155728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).