(2R,6S)-2,6-dimethyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxan-4-amine

C17H22N2O2 — CID 154771031

IUPAC(2R,6S)-2,6-dimethyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxan-4-amine
SMILESCc1ncoc1-c1ccc(NC2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C17H22N2O2/c1-11-8-16(9-12(2)21-11)19-15-6-4-14(5-7-15)17-13(3)18-10-20-17/h4-7,10-12,16,19H,8-9H2,1-3H3/t11-,12+,16?
InChIKeyCCJYGIDEJRHSNF-HBBFGDNQSA-N
MW286.38 g/mol
LogP4.02
Rot. Bonds3

About (2R,6S)-2,6-dimethyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxan-4-amine

(2R,6S)-2,6-dimethyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxan-4-amine (PubChem CID 154771031) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxan-4-amine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxan-4-amine
PubChem CID154771031
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(2R,6S)-2,6-dimethyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxan-4-amine
SMILESCc1ncoc1-c1ccc(NC2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C17H22N2O2/c1-11-8-16(9-12(2)21-11)19-15-6-4-14(5-7-15)17-13(3)18-10-20-17/h4-7,10-12,16,19H,8-9H2,1-3H3/t11-,12+,16?
InChIKeyCCJYGIDEJRHSNF-HBBFGDNQSA-N
XLogP4.02
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,6S)-2,6-dimethyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxan-4-amine with MolForge

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Related Compounds

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide
CID 117800355
(2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide
CID 121363302
N-[4-(5-oxazolyl)phenyl]benzamide
CID 2739167
2,4-difluoro-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 2739169
4-(1,3-Oxazol-5-yl)aniline
CID 517747
N-(3-Methoxy-4-(oxazol-5-yl)phenyl)-2-phenylacetamide
CID 12093478
(E)-N-(3-Methoxy-4-oxazol-5-yl-phenyl)-3-phenyl-acrylamide
CID 12093481
N'-tert-butyl-N-[3-methoxy-4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxamide
CID 20766839
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(4-methyl-1,3-oxazol-5-yl)aniline
CID 22493269
3-methoxy-N-[(4-methoxyphenyl)methyl]-4-oxazol-5-yl-aniline
CID 73355469
(R)-2-amino-N-(3-methoxy-4-(oxazol-5-yl)phenyl)butanamide
CID 117799607
(2R)-2-amino-N-[3-ethyl-4-(1,3-oxazol-5-yl)phenyl]-4-methylpentanamide
CID 117799712

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxan-4-amine?
The IUPAC name of (2R,6S)-2,6-dimethyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxan-4-amine (CID 154771031) is (2R,6S)-2,6-dimethyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxan-4-amine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxan-4-amine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxan-4-amine is Cc1ncoc1-c1ccc(NC2C[C@@H](C)O[C@@H](C)C2)cc1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxan-4-amine?
The InChIKey is CCJYGIDEJRHSNF-HBBFGDNQSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-8-16(9-12(2)21-11)19-15-6-4-14(5-7-15)17-13(3)18-10-20-17/h4-7,10-12,16,19H,8-9H2,1-3H3/t11-,12+,16?.
What are the key properties of (2R,6S)-2,6-dimethyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxan-4-amine?
(2R,6S)-2,6-dimethyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxan-4-amine has a molecular weight of 286.38 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]oxan-4-amine is sourced from PubChem (CID 154771031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).