4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol

C16H20N2O3 — CID 111698359

IUPAC4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol
SMILESOC1(CNCc2coc(-c3ccccc3)n2)CCOCC1
InChIInChI=1S/C16H20N2O3/c19-16(6-8-20-9-7-16)12-17-10-14-11-21-15(18-14)13-4-2-1-3-5-13/h1-5,11,17,19H,6-10,12H2
InChIKeyAVPNDTYDSAEKOP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.97
Rot. Bonds5

About 4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol

4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol (PubChem CID 111698359) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol
PubChem CID111698359
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol
SMILESOC1(CNCc2coc(-c3ccccc3)n2)CCOCC1
InChIInChI=1S/C16H20N2O3/c19-16(6-8-20-9-7-16)12-17-10-14-11-21-15(18-14)13-4-2-1-3-5-13/h1-5,11,17,19H,6-10,12H2
InChIKeyAVPNDTYDSAEKOP-UHFFFAOYSA-N
XLogP1.97
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-(aminomethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide
CID 120932270
4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol
CID 78942180
4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]oxan-4-ol
CID 79032623
1-(2-morpholin-4-yl-3-pyridinyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]methanamine
CID 26393168
4-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43473610
4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120961897
3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1H-quinolin-2-one
CID 78995923
1-[(1-hydroxycyclohexyl)methyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 111509610
4-[(1-benzofuran-2-ylmethylamino)methyl]oxan-4-ol
CID 78928712
4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
CID 78928808
1-morpholin-4-yl-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 38549400
4-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]oxan-4-ol
CID 81131226

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol (CID 111698359) is 4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol is OC1(CNCc2coc(-c3ccccc3)n2)CCOCC1.
What is the InChIKey of 4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol?
The InChIKey is AVPNDTYDSAEKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-16(6-8-20-9-7-16)12-17-10-14-11-21-15(18-14)13-4-2-1-3-5-13/h1-5,11,17,19H,6-10,12H2.
What are the key properties of 4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol?
4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol has a molecular weight of 288.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 111698359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).