N-(3-amino-2-methylpropyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide

C14H19N3O2 — CID 115271704

IUPACN-(3-amino-2-methylpropyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide
SMILESCc1nc2ccc(CC(=O)NCC(C)CN)cc2o1
InChIInChI=1S/C14H19N3O2/c1-9(7-15)8-16-14(18)6-11-3-4-12-13(5-11)19-10(2)17-12/h3-5,9H,6-8,15H2,1-2H3,(H,16,18)
InChIKeyDQLPWANKIRXOLN-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.39
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide

N-(3-amino-2-methylpropyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide (PubChem CID 115271704) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide
PubChem CID115271704
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(3-amino-2-methylpropyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide
SMILESCc1nc2ccc(CC(=O)NCC(C)CN)cc2o1
InChIInChI=1S/C14H19N3O2/c1-9(7-15)8-16-14(18)6-11-3-4-12-13(5-11)19-10(2)17-12/h3-5,9H,6-8,15H2,1-2H3,(H,16,18)
InChIKeyDQLPWANKIRXOLN-UHFFFAOYSA-N
XLogP1.39
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide
CID 110791042
2-methyl-N'-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butane-1,4-diamine
CID 115203408
2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 110791067
2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 110794633
2-(2-methyl-1,3-benzoxazol-6-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110772058
2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 110791108
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791037
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(3-methylbutyl)acetamide
CID 110773848
1,1,1-trifluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one
CID 167601007
2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 116850890
2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide
CID 110773772
N-(3-amino-2-methylpropyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 115271670

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide (CID 115271704) is N-(3-amino-2-methylpropyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide is Cc1nc2ccc(CC(=O)NCC(C)CN)cc2o1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide?
The InChIKey is DQLPWANKIRXOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(7-15)8-16-14(18)6-11-3-4-12-13(5-11)19-10(2)17-12/h3-5,9H,6-8,15H2,1-2H3,(H,16,18).
What are the key properties of N-(3-amino-2-methylpropyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide?
N-(3-amino-2-methylpropyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide is sourced from PubChem (CID 115271704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).