N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-chloropropanamide

C11H17ClN2O2 — CID 165450530

IUPACN-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-chloropropanamide
SMILESCC(C)(C)c1coc(CNC(=O)CCCl)n1
InChIInChI=1S/C11H17ClN2O2/c1-11(2,3)8-7-16-10(14-8)6-13-9(15)4-5-12/h7H,4-6H2,1-3H3,(H,13,15)
InChIKeyKVLMYCGITMPHLN-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.22
Rot. Bonds4

About N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-chloropropanamide

N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-chloropropanamide (PubChem CID 165450530) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-chloropropanamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-chloropropanamide
PubChem CID165450530
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC NameN-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-chloropropanamide
SMILESCC(C)(C)c1coc(CNC(=O)CCCl)n1
InChIInChI=1S/C11H17ClN2O2/c1-11(2,3)8-7-16-10(14-8)6-13-9(15)4-5-12/h7H,4-6H2,1-3H3,(H,13,15)
InChIKeyKVLMYCGITMPHLN-UHFFFAOYSA-N
XLogP2.22
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-chloropropanamide?
The IUPAC name of N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-chloropropanamide (CID 165450530) is N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-chloropropanamide.
What is the SMILES notation for N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-chloropropanamide?
The canonical SMILES for N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-chloropropanamide is CC(C)(C)c1coc(CNC(=O)CCCl)n1.
What is the InChIKey of N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-chloropropanamide?
The InChIKey is KVLMYCGITMPHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-11(2,3)8-7-16-10(14-8)6-13-9(15)4-5-12/h7H,4-6H2,1-3H3,(H,13,15).
What are the key properties of N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-chloropropanamide?
N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-chloropropanamide has a molecular weight of 244.72 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-chloropropanamide is sourced from PubChem (CID 165450530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).