(3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine

C14H24N2O2 — CID 99632811

IUPAC(3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCc1nc(CN[C@H]2CC(C)(C)OC2(C)C)oc1C
InChIInChI=1S/C14H24N2O2/c1-9-10(2)17-12(16-9)8-15-11-7-13(3,4)18-14(11,5)6/h11,15H,7-8H2,1-6H3/t11-/m0/s1
InChIKeyRNOPJYSCGXWOFP-NSHDSACASA-N
MW252.36 g/mol
LogP2.73
Rot. Bonds3

About (3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine

(3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 99632811) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID99632811
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCc1nc(CN[C@H]2CC(C)(C)OC2(C)C)oc1C
InChIInChI=1S/C14H24N2O2/c1-9-10(2)17-12(16-9)8-15-11-7-13(3,4)18-14(11,5)6/h11,15H,7-8H2,1-6H3/t11-/m0/s1
InChIKeyRNOPJYSCGXWOFP-NSHDSACASA-N
XLogP2.73
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of (3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 99632811) is (3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for (3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for (3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine is Cc1nc(CN[C@H]2CC(C)(C)OC2(C)C)oc1C.
What is the InChIKey of (3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is RNOPJYSCGXWOFP-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9-10(2)17-12(16-9)8-15-11-7-13(3,4)18-14(11,5)6/h11,15H,7-8H2,1-6H3/t11-/m0/s1.
What are the key properties of (3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine?
(3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 252.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 99632811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).