(1S)-2,2-dimethyl-1-[6-(2-phenyl-2,5-dihydro-1,3-oxazol-4-yl)-2-pyridinyl]propan-1-ol

C19H22N2O2 — CID 58193952

IUPAC(1S)-2,2-dimethyl-1-[6-(2-phenyl-2,5-dihydro-1,3-oxazol-4-yl)-2-pyridinyl]propan-1-ol
SMILESCC(C)(C)[C@H](O)c1cccc(C2=NC(c3ccccc3)OC2)n1
InChIInChI=1S/C19H22N2O2/c1-19(2,3)17(22)15-11-7-10-14(20-15)16-12-23-18(21-16)13-8-5-4-6-9-13/h4-11,17-18,22H,12H2,1-3H3/t17-,18?/m1/s1
InChIKeyNMBZDYHVHHAXDS-QNSVNVJESA-N
MW310.40 g/mol
LogP3.68
Rot. Bonds3

About (1S)-2,2-dimethyl-1-[6-(2-phenyl-2,5-dihydro-1,3-oxazol-4-yl)-2-pyridinyl]propan-1-ol

(1S)-2,2-dimethyl-1-[6-(2-phenyl-2,5-dihydro-1,3-oxazol-4-yl)-2-pyridinyl]propan-1-ol (PubChem CID 58193952) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-1-[6-(2-phenyl-2,5-dihydro-1,3-oxazol-4-yl)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-1-[6-(2-phenyl-2,5-dihydro-1,3-oxazol-4-yl)-2-pyridinyl]propan-1-ol
PubChem CID58193952
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(1S)-2,2-dimethyl-1-[6-(2-phenyl-2,5-dihydro-1,3-oxazol-4-yl)-2-pyridinyl]propan-1-ol
SMILESCC(C)(C)[C@H](O)c1cccc(C2=NC(c3ccccc3)OC2)n1
InChIInChI=1S/C19H22N2O2/c1-19(2,3)17(22)15-11-7-10-14(20-15)16-12-23-18(21-16)13-8-5-4-6-9-13/h4-11,17-18,22H,12H2,1-3H3/t17-,18?/m1/s1
InChIKeyNMBZDYHVHHAXDS-QNSVNVJESA-N
XLogP3.68
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-1-[6-(2-phenyl-2,5-dihydro-1,3-oxazol-4-yl)-2-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-2,2-dimethyl-1-[6-(2-phenyl-2,5-dihydro-1,3-oxazol-4-yl)-2-pyridinyl]propan-1-ol (CID 58193952) is (1S)-2,2-dimethyl-1-[6-(2-phenyl-2,5-dihydro-1,3-oxazol-4-yl)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-2,2-dimethyl-1-[6-(2-phenyl-2,5-dihydro-1,3-oxazol-4-yl)-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-2,2-dimethyl-1-[6-(2-phenyl-2,5-dihydro-1,3-oxazol-4-yl)-2-pyridinyl]propan-1-ol is CC(C)(C)[C@H](O)c1cccc(C2=NC(c3ccccc3)OC2)n1.
What is the InChIKey of (1S)-2,2-dimethyl-1-[6-(2-phenyl-2,5-dihydro-1,3-oxazol-4-yl)-2-pyridinyl]propan-1-ol?
The InChIKey is NMBZDYHVHHAXDS-QNSVNVJESA-N. The full InChI is InChI=1S/C19H22N2O2/c1-19(2,3)17(22)15-11-7-10-14(20-15)16-12-23-18(21-16)13-8-5-4-6-9-13/h4-11,17-18,22H,12H2,1-3H3/t17-,18?/m1/s1.
What are the key properties of (1S)-2,2-dimethyl-1-[6-(2-phenyl-2,5-dihydro-1,3-oxazol-4-yl)-2-pyridinyl]propan-1-ol?
(1S)-2,2-dimethyl-1-[6-(2-phenyl-2,5-dihydro-1,3-oxazol-4-yl)-2-pyridinyl]propan-1-ol has a molecular weight of 310.40 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-1-[6-(2-phenyl-2,5-dihydro-1,3-oxazol-4-yl)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 58193952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).