N-methyl-3-(methylamino)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propanamide

C14H19N3O2 — CID 115153302

IUPACN-methyl-3-(methylamino)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propanamide
SMILESCNCCC(=O)N(C)Cc1ccc2oc(C)nc2c1
InChIInChI=1S/C14H19N3O2/c1-10-16-12-8-11(4-5-13(12)19-10)9-17(3)14(18)6-7-15-2/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyPBHLFHVEWMYMBM-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.70
Rot. Bonds5

About N-methyl-3-(methylamino)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propanamide

N-methyl-3-(methylamino)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propanamide (PubChem CID 115153302) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-methyl-3-(methylamino)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(methylamino)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propanamide
PubChem CID115153302
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-methyl-3-(methylamino)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propanamide
SMILESCNCCC(=O)N(C)Cc1ccc2oc(C)nc2c1
InChIInChI=1S/C14H19N3O2/c1-10-16-12-8-11(4-5-13(12)19-10)9-17(3)14(18)6-7-15-2/h4-5,8,15H,6-7,9H2,1-3H3
InChIKeyPBHLFHVEWMYMBM-UHFFFAOYSA-N
XLogP1.70
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-methyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butanamide
CID 115163065
methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid
CID 115171032
methyl 2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]-2-oxoacetate
CID 115142497
N-(1,3-benzoxazol-6-ylmethyl)-N-methyl-3-(methylamino)propanamide
CID 115153296
4-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butanoic acid
CID 115218677
2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide
CID 115260031
3-[methyl-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]amino]propanoic acid
CID 112519384
N-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115191348
N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390565
N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 115191188
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
N-benzyl-N,2-dimethyl-1,3-benzoxazole-5-carboxamide
CID 110387920

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(methylamino)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propanamide?
The IUPAC name of N-methyl-3-(methylamino)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propanamide (CID 115153302) is N-methyl-3-(methylamino)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propanamide.
What is the SMILES notation for N-methyl-3-(methylamino)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propanamide?
The canonical SMILES for N-methyl-3-(methylamino)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propanamide is CNCCC(=O)N(C)Cc1ccc2oc(C)nc2c1.
What is the InChIKey of N-methyl-3-(methylamino)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propanamide?
The InChIKey is PBHLFHVEWMYMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-16-12-8-11(4-5-13(12)19-10)9-17(3)14(18)6-7-15-2/h4-5,8,15H,6-7,9H2,1-3H3.
What are the key properties of N-methyl-3-(methylamino)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propanamide?
N-methyl-3-(methylamino)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propanamide has a molecular weight of 261.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(methylamino)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propanamide is sourced from PubChem (CID 115153302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).