N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide

C13H16N2O2 — CID 110791037

IUPACN-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1ccc2nc(C)oc2c1
InChIInChI=1S/C13H16N2O2/c1-3-13(16)14-7-6-10-4-5-11-12(8-10)17-9(2)15-11/h4-5,8H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyLDJZNRVCNFAQSM-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.20
Rot. Bonds4

About N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide

N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide (PubChem CID 110791037) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
PubChem CID110791037
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1ccc2nc(C)oc2c1
InChIInChI=1S/C13H16N2O2/c1-3-13(16)14-7-6-10-4-5-11-12(8-10)17-9(2)15-11/h4-5,8H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyLDJZNRVCNFAQSM-UHFFFAOYSA-N
XLogP2.20
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide
CID 110791042
2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 110791067
1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea
CID 115169390
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]cyclopropanecarboxamide
CID 110791040
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]pyridine-4-carboxamide
CID 110791080
3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791095
N-[2-(3-methylquinolin-7-yl)ethyl]propanamide
CID 123526168
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791451
N-methyl-N'-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]methanediamine
CID 115227219
N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110707465
3-cyano-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115173969

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide (CID 110791037) is N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide is CCC(=O)NCCc1ccc2nc(C)oc2c1.
What is the InChIKey of N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide?
The InChIKey is LDJZNRVCNFAQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-13(16)14-7-6-10-4-5-11-12(8-10)17-9(2)15-11/h4-5,8H,3,6-7H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide?
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide has a molecular weight of 232.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide is sourced from PubChem (CID 110791037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).