(2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(2-methylpropylamino)methyl]oxan-3-ol

C16H28N2O4 — CID 75536295

IUPAC(2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(2-methylpropylamino)methyl]oxan-3-ol
SMILESCOCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNCC(C)C)O2)no1
InChIInChI=1S/C16H28N2O4/c1-11(2)8-17-9-16-15(19)5-4-13(21-16)6-12-7-14(10-20-3)22-18-12/h7,11,13,15-17,19H,4-6,8-10H2,1-3H3/t13-,15-,16+/m0/s1
InChIKeyRXMFJPAVCSASMV-CWRNSKLLSA-N
MW312.41 g/mol
LogP1.52
Rot. Bonds8

About (2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(2-methylpropylamino)methyl]oxan-3-ol

(2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(2-methylpropylamino)methyl]oxan-3-ol (PubChem CID 75536295) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(2-methylpropylamino)methyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(2-methylpropylamino)methyl]oxan-3-ol
PubChem CID75536295
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name(2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(2-methylpropylamino)methyl]oxan-3-ol
SMILESCOCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNCC(C)C)O2)no1
InChIInChI=1S/C16H28N2O4/c1-11(2)8-17-9-16-15(19)5-4-13(21-16)6-12-7-14(10-20-3)22-18-12/h7,11,13,15-17,19H,4-6,8-10H2,1-3H3/t13-,15-,16+/m0/s1
InChIKeyRXMFJPAVCSASMV-CWRNSKLLSA-N
XLogP1.52
TPSA76.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(2-methylpropylamino)methyl]oxan-3-ol?
The IUPAC name of (2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(2-methylpropylamino)methyl]oxan-3-ol (CID 75536295) is (2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(2-methylpropylamino)methyl]oxan-3-ol.
What is the SMILES notation for (2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(2-methylpropylamino)methyl]oxan-3-ol?
The canonical SMILES for (2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(2-methylpropylamino)methyl]oxan-3-ol is COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNCC(C)C)O2)no1.
What is the InChIKey of (2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(2-methylpropylamino)methyl]oxan-3-ol?
The InChIKey is RXMFJPAVCSASMV-CWRNSKLLSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-11(2)8-17-9-16-15(19)5-4-13(21-16)6-12-7-14(10-20-3)22-18-12/h7,11,13,15-17,19H,4-6,8-10H2,1-3H3/t13-,15-,16+/m0/s1.
What are the key properties of (2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(2-methylpropylamino)methyl]oxan-3-ol?
(2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(2-methylpropylamino)methyl]oxan-3-ol has a molecular weight of 312.41 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(2-methylpropylamino)methyl]oxan-3-ol is sourced from PubChem (CID 75536295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).