3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide

C13H22N2O3 — CID 97353224

IUPAC3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide
SMILESCCCCCC[C@@H](C)NC(=O)c1cc(OC)no1
InChIInChI=1S/C13H22N2O3/c1-4-5-6-7-8-10(2)14-13(16)11-9-12(17-3)15-18-11/h9-10H,4-8H2,1-3H3,(H,14,16)/t10-/m1/s1
InChIKeyCTCDXXCQCDCFBU-SNVBAGLBSA-N
MW254.33 g/mol
LogP2.77
Rot. Bonds8

About 3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide

3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 97353224) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID97353224
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide
SMILESCCCCCC[C@@H](C)NC(=O)c1cc(OC)no1
InChIInChI=1S/C13H22N2O3/c1-4-5-6-7-8-10(2)14-13(16)11-9-12(17-3)15-18-11/h9-10H,4-8H2,1-3H3,(H,14,16)/t10-/m1/s1
InChIKeyCTCDXXCQCDCFBU-SNVBAGLBSA-N
XLogP2.77
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 90573752
N-butyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573751
N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 99697784
(2R)-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 137394958
3-methoxy-N-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 97351811
5-bromo-3-methyl-N-octan-2-ylfuran-2-carboxamide
CID 55824302
N-[(2R)-2-(4-chlorophenyl)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]ethyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 100717083
methyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate
CID 15923592
N-(4-chlorobutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 83188576
(2S)-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]hexanoic acid
CID 120614689
3-methoxy-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-5-carboxamide
CID 129326912
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-heptan-2-ylbenzamide
CID 42988184

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide (CID 97353224) is 3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide is CCCCCC[C@@H](C)NC(=O)c1cc(OC)no1.
What is the InChIKey of 3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is CTCDXXCQCDCFBU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-4-5-6-7-8-10(2)14-13(16)11-9-12(17-3)15-18-11/h9-10H,4-8H2,1-3H3,(H,14,16)/t10-/m1/s1.
What are the key properties of 3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide?
3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97353224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).