N-(1-chloro-3-methylpentan-3-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

C12H19ClN2O3 — CID 114153145

IUPACN-(1-chloro-3-methylpentan-3-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCC(C)(CCCl)NC(=O)c1cc(COC)on1
InChIInChI=1S/C12H19ClN2O3/c1-4-12(2,5-6-13)14-11(16)10-7-9(8-17-3)18-15-10/h7H,4-6,8H2,1-3H3,(H,14,16)
InChIKeyKHROMOPJNCMNQF-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.35
Rot. Bonds7

About N-(1-chloro-3-methylpentan-3-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

N-(1-chloro-3-methylpentan-3-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 114153145) has the molecular formula C12H19ClN2O3 and a molecular weight of 274.75 g/mol. Its IUPAC name is N-(1-chloro-3-methylpentan-3-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylpentan-3-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID114153145
Molecular FormulaC12H19ClN2O3
Molecular Weight274.75 g/mol
Exact Mass274.11
IUPAC NameN-(1-chloro-3-methylpentan-3-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCC(C)(CCCl)NC(=O)c1cc(COC)on1
InChIInChI=1S/C12H19ClN2O3/c1-4-12(2,5-6-13)14-11(16)10-7-9(8-17-3)18-15-10/h7H,4-6,8H2,1-3H3,(H,14,16)
InChIKeyKHROMOPJNCMNQF-UHFFFAOYSA-N
XLogP2.35
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(Methoxymethyl)-1,2-oxazole-3-carboxamide
CID 18521757
N-[(1S)-1-cyclopropylethyl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 137993470
5-(methoxymethyl)-N-[(3S)-1-propanoylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 164631414
N-[(3R)-4,4-dimethyloxolan-3-yl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 164641962
3,3,3-Trifluoro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]-2-methylpropanoic acid
CID 79795906
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 107490905
N-(2-chloroethyl)-5-(methoxymethyl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
CID 113965963
N-(3-amino-2,2-difluoropropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 114383438
N-(3-amino-2,2-difluoropropyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 120411128
N-[[4-(fluoromethyl)oxan-4-yl]methyl]-5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazole-3-carboxamide
CID 137993589
2-chloro-2-fluoro-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]acetamide
CID 166427966
N-ethyl-5-(methoxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 71869217

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 114153145) is N-(1-chloro-3-methylpentan-3-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-chloro-3-methylpentan-3-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-chloro-3-methylpentan-3-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is CCC(C)(CCCl)NC(=O)c1cc(COC)on1.
What is the InChIKey of N-(1-chloro-3-methylpentan-3-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KHROMOPJNCMNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3/c1-4-12(2,5-6-13)14-11(16)10-7-9(8-17-3)18-15-10/h7H,4-6,8H2,1-3H3,(H,14,16).
What are the key properties of N-(1-chloro-3-methylpentan-3-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-(1-chloro-3-methylpentan-3-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 274.75 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylpentan-3-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 114153145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).