N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]propanamide

C14H18N2O2 — CID 10332159

IUPACN-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]propanamide
SMILESCCC(=O)NCCCc1cccc2nc(C)oc12
InChIInChI=1S/C14H18N2O2/c1-3-13(17)15-9-5-7-11-6-4-8-12-14(11)18-10(2)16-12/h4,6,8H,3,5,7,9H2,1-2H3,(H,15,17)
InChIKeyNARZQXIFWXMPAP-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.60
Rot. Bonds5

About N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]propanamide

N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]propanamide (PubChem CID 10332159) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]propanamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]propanamide
PubChem CID10332159
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]propanamide
SMILESCCC(=O)NCCCc1cccc2nc(C)oc12
InChIInChI=1S/C14H18N2O2/c1-3-13(17)15-9-5-7-11-6-4-8-12-14(11)18-10(2)16-12/h4,6,8H,3,5,7,9H2,1-2H3,(H,15,17)
InChIKeyNARZQXIFWXMPAP-UHFFFAOYSA-N
XLogP2.60
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]propanamide?
The IUPAC name of N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]propanamide (CID 10332159) is N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]propanamide.
What is the SMILES notation for N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]propanamide?
The canonical SMILES for N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]propanamide is CCC(=O)NCCCc1cccc2nc(C)oc12.
What is the InChIKey of N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]propanamide?
The InChIKey is NARZQXIFWXMPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-13(17)15-9-5-7-11-6-4-8-12-14(11)18-10(2)16-12/h4,6,8H,3,5,7,9H2,1-2H3,(H,15,17).
What are the key properties of N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]propanamide?
N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]propanamide has a molecular weight of 246.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1,3-benzoxazol-7-yl)propyl]propanamide is sourced from PubChem (CID 10332159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).