N-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)acetamide

C19H23ClN2O2 — CID 166423661

IUPACN-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILESCC(C)(C)c1cc(CN(C(=O)CCl)C2Cc3ccccc3C2)no1
InChIInChI=1S/C19H23ClN2O2/c1-19(2,3)17-10-15(21-24-17)12-22(18(23)11-20)16-8-13-6-4-5-7-14(13)9-16/h4-7,10,16H,8-9,11-12H2,1-3H3
InChIKeySFCXHJDFAGSUHJ-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.71
Rot. Bonds4

About N-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)acetamide

N-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)acetamide (PubChem CID 166423661) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)acetamide.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)acetamide
PubChem CID166423661
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILESCC(C)(C)c1cc(CN(C(=O)CCl)C2Cc3ccccc3C2)no1
InChIInChI=1S/C19H23ClN2O2/c1-19(2,3)17-10-15(21-24-17)12-22(18(23)11-20)16-8-13-6-4-5-7-14(13)9-16/h4-7,10,16H,8-9,11-12H2,1-3H3
InChIKeySFCXHJDFAGSUHJ-UHFFFAOYSA-N
XLogP3.71
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.71
H-Bond Donors ≤ 50
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-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)acetamide?
The IUPAC name of N-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)acetamide (CID 166423661) is N-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)acetamide.
What is the SMILES notation for N-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)acetamide?
The canonical SMILES for N-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)acetamide is CC(C)(C)c1cc(CN(C(=O)CCl)C2Cc3ccccc3C2)no1.
What is the InChIKey of N-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)acetamide?
The InChIKey is SFCXHJDFAGSUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-19(2,3)17-10-15(21-24-17)12-22(18(23)11-20)16-8-13-6-4-5-7-14(13)9-16/h4-7,10,16H,8-9,11-12H2,1-3H3.
What are the key properties of N-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)acetamide?
N-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)acetamide has a molecular weight of 346.86 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2-chloro-N-(2,3-dihydro-1H-inden-2-yl)acetamide is sourced from PubChem (CID 166423661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).