N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide

C13H17N3O2 — CID 119585056

IUPACN-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
SMILESCC(CN)N(C)C(=O)Cc1noc2ccccc12
InChIInChI=1S/C13H17N3O2/c1-9(8-14)16(2)13(17)7-11-10-5-3-4-6-12(10)18-15-11/h3-6,9H,7-8,14H2,1-2H3
InChIKeyPYPNMVMDQVJEHC-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.18
Rot. Bonds4

About N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide

N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide (PubChem CID 119585056) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
PubChem CID119585056
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
SMILESCC(CN)N(C)C(=O)Cc1noc2ccccc12
InChIInChI=1S/C13H17N3O2/c1-9(8-14)16(2)13(17)7-11-10-5-3-4-6-12(10)18-15-11/h3-6,9H,7-8,14H2,1-2H3
InChIKeyPYPNMVMDQVJEHC-UHFFFAOYSA-N
XLogP1.18
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide (CID 119585056) is N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide is CC(CN)N(C)C(=O)Cc1noc2ccccc12.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide?
The InChIKey is PYPNMVMDQVJEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(8-14)16(2)13(17)7-11-10-5-3-4-6-12(10)18-15-11/h3-6,9H,7-8,14H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide?
N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide has a molecular weight of 247.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide is sourced from PubChem (CID 119585056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).