5-[2-[(2R)-1-(3-propan-2-yloxyphenyl)propan-2-yl]oxypyrimidin-5-yl]-1,2-oxazol-3-one

C19H21N3O4 — CID 44555077

IUPAC5-[2-[(2R)-1-(3-propan-2-yloxyphenyl)propan-2-yl]oxypyrimidin-5-yl]-1,2-oxazol-3-one
SMILESCC(C)Oc1cccc(C[C@@H](C)Oc2ncc(-c3cc(=O)[nH]o3)cn2)c1
InChIInChI=1S/C19H21N3O4/c1-12(2)24-16-6-4-5-14(8-16)7-13(3)25-19-20-10-15(11-21-19)17-9-18(23)22-26-17/h4-6,8-13H,7H2,1-3H3,(H,22,23)/t13-/m1/s1
InChIKeyLRVBNHZGQYDZKF-CYBMUJFWSA-N
MW355.39 g/mol
LogP3.22
Rot. Bonds7

About 5-[2-[(2R)-1-(3-propan-2-yloxyphenyl)propan-2-yl]oxypyrimidin-5-yl]-1,2-oxazol-3-one

5-[2-[(2R)-1-(3-propan-2-yloxyphenyl)propan-2-yl]oxypyrimidin-5-yl]-1,2-oxazol-3-one (PubChem CID 44555077) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 5-[2-[(2R)-1-(3-propan-2-yloxyphenyl)propan-2-yl]oxypyrimidin-5-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[2-[(2R)-1-(3-propan-2-yloxyphenyl)propan-2-yl]oxypyrimidin-5-yl]-1,2-oxazol-3-one
PubChem CID44555077
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name5-[2-[(2R)-1-(3-propan-2-yloxyphenyl)propan-2-yl]oxypyrimidin-5-yl]-1,2-oxazol-3-one
SMILESCC(C)Oc1cccc(C[C@@H](C)Oc2ncc(-c3cc(=O)[nH]o3)cn2)c1
InChIInChI=1S/C19H21N3O4/c1-12(2)24-16-6-4-5-14(8-16)7-13(3)25-19-20-10-15(11-21-19)17-9-18(23)22-26-17/h4-6,8-13H,7H2,1-3H3,(H,22,23)/t13-/m1/s1
InChIKeyLRVBNHZGQYDZKF-CYBMUJFWSA-N
XLogP3.22
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-1-(3-propan-2-yloxyphenyl)propan-2-yl]oxypyrimidin-5-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[2-[(2R)-1-(3-propan-2-yloxyphenyl)propan-2-yl]oxypyrimidin-5-yl]-1,2-oxazol-3-one (CID 44555077) is 5-[2-[(2R)-1-(3-propan-2-yloxyphenyl)propan-2-yl]oxypyrimidin-5-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[2-[(2R)-1-(3-propan-2-yloxyphenyl)propan-2-yl]oxypyrimidin-5-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[2-[(2R)-1-(3-propan-2-yloxyphenyl)propan-2-yl]oxypyrimidin-5-yl]-1,2-oxazol-3-one is CC(C)Oc1cccc(C[C@@H](C)Oc2ncc(-c3cc(=O)[nH]o3)cn2)c1.
What is the InChIKey of 5-[2-[(2R)-1-(3-propan-2-yloxyphenyl)propan-2-yl]oxypyrimidin-5-yl]-1,2-oxazol-3-one?
The InChIKey is LRVBNHZGQYDZKF-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12(2)24-16-6-4-5-14(8-16)7-13(3)25-19-20-10-15(11-21-19)17-9-18(23)22-26-17/h4-6,8-13H,7H2,1-3H3,(H,22,23)/t13-/m1/s1.
What are the key properties of 5-[2-[(2R)-1-(3-propan-2-yloxyphenyl)propan-2-yl]oxypyrimidin-5-yl]-1,2-oxazol-3-one?
5-[2-[(2R)-1-(3-propan-2-yloxyphenyl)propan-2-yl]oxypyrimidin-5-yl]-1,2-oxazol-3-one has a molecular weight of 355.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R)-1-(3-propan-2-yloxyphenyl)propan-2-yl]oxypyrimidin-5-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 44555077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).