2-chloro-N-[(5,5-dimethyloxan-2-yl)methyl]-N-[(4-methyl-1,2-oxazol-3-yl)methyl]acetamide

C15H23ClN2O3 — CID 166423645

IUPAC2-chloro-N-[(5,5-dimethyloxan-2-yl)methyl]-N-[(4-methyl-1,2-oxazol-3-yl)methyl]acetamide
SMILESCc1conc1CN(CC1CCC(C)(C)CO1)C(=O)CCl
InChIInChI=1S/C15H23ClN2O3/c1-11-9-21-17-13(11)8-18(14(19)6-16)7-12-4-5-15(2,3)10-20-12/h9,12H,4-8,10H2,1-3H3
InChIKeyVCHGHSXZOUIMSA-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.76
Rot. Bonds5

About 2-chloro-N-[(5,5-dimethyloxan-2-yl)methyl]-N-[(4-methyl-1,2-oxazol-3-yl)methyl]acetamide

2-chloro-N-[(5,5-dimethyloxan-2-yl)methyl]-N-[(4-methyl-1,2-oxazol-3-yl)methyl]acetamide (PubChem CID 166423645) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-chloro-N-[(5,5-dimethyloxan-2-yl)methyl]-N-[(4-methyl-1,2-oxazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(5,5-dimethyloxan-2-yl)methyl]-N-[(4-methyl-1,2-oxazol-3-yl)methyl]acetamide
PubChem CID166423645
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-chloro-N-[(5,5-dimethyloxan-2-yl)methyl]-N-[(4-methyl-1,2-oxazol-3-yl)methyl]acetamide
SMILESCc1conc1CN(CC1CCC(C)(C)CO1)C(=O)CCl
InChIInChI=1S/C15H23ClN2O3/c1-11-9-21-17-13(11)8-18(14(19)6-16)7-12-4-5-15(2,3)10-20-12/h9,12H,4-8,10H2,1-3H3
InChIKeyVCHGHSXZOUIMSA-UHFFFAOYSA-N
XLogP2.76
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(3,3-dimethyloxolan-2-yl)methyl]-N-[(5-ethyl-1,2-oxazol-3-yl)methyl]acetamide
CID 166423655
N-[(2-tert-butyl-1,3-oxazol-5-yl)methyl]-2-chloro-N-(cyclopent-2-en-1-ylmethyl)acetamide
CID 166424338
2-chloro-N-(2,2-dicyclopropylethyl)-N-[(3-methyl-1,2-thiazol-5-yl)methyl]acetamide
CID 166424106
(5-bromo-2-ethoxy-4-pyridinyl)methyl 2-(5,5-dimethyloxan-2-yl)acetate
CID 154876593
2-[(2-chloroacetyl)-(cyclohexylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42770361
ethyl 2-(5,5-dimethyloxepan-2-yl)acetate
CID 134975696
2-chloro-N-[(2,3-dimethylphenyl)methyl]-N-[(3-hydroxycyclobutyl)methyl]acetamide
CID 166424104
N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 45226958
2-chloro-N-[(2-fluoro-3-methylphenyl)methyl]-N-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)acetamide
CID 166424686
N-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40639553
2-chloro-N-(1,4-dioxaspiro[4.4]nonan-9-yl)-N-[(5-fluoro-2-methylphenyl)methyl]acetamide
CID 167757330
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N'-(5-methyl-1,2-oxazol-3-yl)-N'-(oxolan-2-ylmethyl)butanediamide
CID 45076418

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5,5-dimethyloxan-2-yl)methyl]-N-[(4-methyl-1,2-oxazol-3-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(5,5-dimethyloxan-2-yl)methyl]-N-[(4-methyl-1,2-oxazol-3-yl)methyl]acetamide (CID 166423645) is 2-chloro-N-[(5,5-dimethyloxan-2-yl)methyl]-N-[(4-methyl-1,2-oxazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(5,5-dimethyloxan-2-yl)methyl]-N-[(4-methyl-1,2-oxazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(5,5-dimethyloxan-2-yl)methyl]-N-[(4-methyl-1,2-oxazol-3-yl)methyl]acetamide is Cc1conc1CN(CC1CCC(C)(C)CO1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[(5,5-dimethyloxan-2-yl)methyl]-N-[(4-methyl-1,2-oxazol-3-yl)methyl]acetamide?
The InChIKey is VCHGHSXZOUIMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-11-9-21-17-13(11)8-18(14(19)6-16)7-12-4-5-15(2,3)10-20-12/h9,12H,4-8,10H2,1-3H3.
What are the key properties of 2-chloro-N-[(5,5-dimethyloxan-2-yl)methyl]-N-[(4-methyl-1,2-oxazol-3-yl)methyl]acetamide?
2-chloro-N-[(5,5-dimethyloxan-2-yl)methyl]-N-[(4-methyl-1,2-oxazol-3-yl)methyl]acetamide has a molecular weight of 314.81 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5,5-dimethyloxan-2-yl)methyl]-N-[(4-methyl-1,2-oxazol-3-yl)methyl]acetamide is sourced from PubChem (CID 166423645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).