2-[[bis(2-methylpropyl)amino]methyl]-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxan-3-ol

C22H40N2O3 — CID 162846458

IUPAC2-[[bis(2-methylpropyl)amino]methyl]-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxan-3-ol
SMILESCC(C)CN(CC(C)C)CC1OC(Cc2cc(C(C)(C)C)on2)CCC1O
InChIInChI=1S/C22H40N2O3/c1-15(2)12-24(13-16(3)4)14-20-19(25)9-8-18(26-20)10-17-11-21(27-23-17)22(5,6)7/h11,15-16,18-20,25H,8-10,12-14H2,1-7H3
InChIKeyLAZQXZQKBXMERN-UHFFFAOYSA-N
MW380.57 g/mol
LogP4.04
Rot. Bonds8

About 2-[[bis(2-methylpropyl)amino]methyl]-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxan-3-ol

2-[[bis(2-methylpropyl)amino]methyl]-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxan-3-ol (PubChem CID 162846458) has the molecular formula C22H40N2O3 and a molecular weight of 380.57 g/mol. Its IUPAC name is 2-[[bis(2-methylpropyl)amino]methyl]-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxan-3-ol.

Molecular Properties

Compound Name2-[[bis(2-methylpropyl)amino]methyl]-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxan-3-ol
PubChem CID162846458
Molecular FormulaC22H40N2O3
Molecular Weight380.57 g/mol
Exact Mass380.30
IUPAC Name2-[[bis(2-methylpropyl)amino]methyl]-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxan-3-ol
SMILESCC(C)CN(CC(C)C)CC1OC(Cc2cc(C(C)(C)C)on2)CCC1O
InChIInChI=1S/C22H40N2O3/c1-15(2)12-24(13-16(3)4)14-20-19(25)9-8-18(26-20)10-17-11-21(27-23-17)22(5,6)7/h11,15-16,18-20,25H,8-10,12-14H2,1-7H3
InChIKeyLAZQXZQKBXMERN-UHFFFAOYSA-N
XLogP4.04
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.57
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[bis(2-methylpropyl)amino]methyl]-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxan-3-ol with MolForge

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Related Compounds

(2R,3S,6S)-2-(diethylaminomethyl)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
CID 75366948
(2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
CID 75366950
(2R,3S,6S)-2-[(dimethylamino)methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
CID 75366960
(2R,3S,6S)-2-[[bis(2-methylpropyl)amino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
CID 75536216
(2R,3S,6S)-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-[(2-methylpropylamino)methyl]oxan-3-ol
CID 75536295
N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-2-methylpropanamide
CID 75367029
(2R,3S,6S)-2-[[bis(cyclopropylmethyl)amino]methyl]-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxan-3-ol
CID 75536203
(2R,3S,6S)-2-[[bis(cyclohexylmethyl)amino]methyl]-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-3-ol
CID 75536215
N-[[(2R,3S,6S)-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]cyclopropanecarboxamide
CID 75366929
1-[[(2R,3S,6S)-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-3-hydroxyoxan-2-yl]methyl]-3-ethylurea
CID 75366932
(2R,3S,6S)-2-(diethylaminomethyl)-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol
CID 75366971
(2R,3S,6S)-2-[(dimethylamino)methyl]-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol
CID 75366974

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-methylpropyl)amino]methyl]-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxan-3-ol?
The IUPAC name of 2-[[bis(2-methylpropyl)amino]methyl]-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxan-3-ol (CID 162846458) is 2-[[bis(2-methylpropyl)amino]methyl]-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxan-3-ol.
What is the SMILES notation for 2-[[bis(2-methylpropyl)amino]methyl]-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxan-3-ol?
The canonical SMILES for 2-[[bis(2-methylpropyl)amino]methyl]-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxan-3-ol is CC(C)CN(CC(C)C)CC1OC(Cc2cc(C(C)(C)C)on2)CCC1O.
What is the InChIKey of 2-[[bis(2-methylpropyl)amino]methyl]-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxan-3-ol?
The InChIKey is LAZQXZQKBXMERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O3/c1-15(2)12-24(13-16(3)4)14-20-19(25)9-8-18(26-20)10-17-11-21(27-23-17)22(5,6)7/h11,15-16,18-20,25H,8-10,12-14H2,1-7H3.
What are the key properties of 2-[[bis(2-methylpropyl)amino]methyl]-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxan-3-ol?
2-[[bis(2-methylpropyl)amino]methyl]-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxan-3-ol has a molecular weight of 380.57 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-methylpropyl)amino]methyl]-6-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxan-3-ol is sourced from PubChem (CID 162846458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).