3-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]propan-1-ol

C14H18N2O2 — CID 71973096

IUPAC3-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]propan-1-ol
SMILESCc1cc(CN(CCCO)c2ccccc2)on1
InChIInChI=1S/C14H18N2O2/c1-12-10-14(18-15-12)11-16(8-5-9-17)13-6-3-2-4-7-13/h2-4,6-7,10,17H,5,8-9,11H2,1H3
InChIKeyRMOHTIWQGIXCOQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.37
Rot. Bonds6

About 3-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]propan-1-ol

3-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]propan-1-ol (PubChem CID 71973096) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]propan-1-ol.

Molecular Properties

Compound Name3-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]propan-1-ol
PubChem CID71973096
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]propan-1-ol
SMILESCc1cc(CN(CCCO)c2ccccc2)on1
InChIInChI=1S/C14H18N2O2/c1-12-10-14(18-15-12)11-16(8-5-9-17)13-6-3-2-4-7-13/h2-4,6-7,10,17H,5,8-9,11H2,1H3
InChIKeyRMOHTIWQGIXCOQ-UHFFFAOYSA-N
XLogP2.37
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]propan-1-ol?
The IUPAC name of 3-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]propan-1-ol (CID 71973096) is 3-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]propan-1-ol.
What is the SMILES notation for 3-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]propan-1-ol?
The canonical SMILES for 3-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]propan-1-ol is Cc1cc(CN(CCCO)c2ccccc2)on1.
What is the InChIKey of 3-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]propan-1-ol?
The InChIKey is RMOHTIWQGIXCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-12-10-14(18-15-12)11-16(8-5-9-17)13-6-3-2-4-7-13/h2-4,6-7,10,17H,5,8-9,11H2,1H3.
What are the key properties of 3-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]propan-1-ol?
3-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]propan-1-ol has a molecular weight of 246.31 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[(3-methyl-1,2-oxazol-5-yl)methyl]anilino]propan-1-ol is sourced from PubChem (CID 71973096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).