2,6-bis(4-propan-2-yl-1,3-oxazol-2-yl)-1H-pyridin-4-one

C17H19N3O3 — CID 175895153

IUPAC2,6-bis(4-propan-2-yl-1,3-oxazol-2-yl)-1H-pyridin-4-one
SMILESCC(C)c1coc(-c2cc(=O)cc(-c3nc(C(C)C)co3)[nH]2)n1
InChIInChI=1S/C17H19N3O3/c1-9(2)14-7-22-16(19-14)12-5-11(21)6-13(18-12)17-20-15(8-23-17)10(3)4/h5-10H,1-4H3,(H,18,21)
InChIKeyRXBQSTXQJHISIH-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.93
Rot. Bonds4

About 2,6-bis(4-propan-2-yl-1,3-oxazol-2-yl)-1H-pyridin-4-one

2,6-bis(4-propan-2-yl-1,3-oxazol-2-yl)-1H-pyridin-4-one (PubChem CID 175895153) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2,6-bis(4-propan-2-yl-1,3-oxazol-2-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2,6-bis(4-propan-2-yl-1,3-oxazol-2-yl)-1H-pyridin-4-one
PubChem CID175895153
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2,6-bis(4-propan-2-yl-1,3-oxazol-2-yl)-1H-pyridin-4-one
SMILESCC(C)c1coc(-c2cc(=O)cc(-c3nc(C(C)C)co3)[nH]2)n1
InChIInChI=1S/C17H19N3O3/c1-9(2)14-7-22-16(19-14)12-5-11(21)6-13(18-12)17-20-15(8-23-17)10(3)4/h5-10H,1-4H3,(H,18,21)
InChIKeyRXBQSTXQJHISIH-UHFFFAOYSA-N
XLogP3.93
TPSA84.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole
CID 146379712
2-[4-methoxy-6-(4-propan-2-yl-1,3-oxazol-2-yl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole
CID 175895003
4-propan-2-yl-2-[6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole
CID 175895076
4-(4-propan-2-yl-1,3-oxazol-2-yl)benzaldehyde
CID 115029103
2-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole
CID 167038806
2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole
CID 115049454
2-[3,5-dibromo-4-chloro-6-(4-propan-2-yl-1,3-oxazol-2-yl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole
CID 175846169
cobalt;2-[3,5-dibromo-4-chloro-6-(4-propan-2-yl-1,3-oxazol-2-yl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole
CID 175846168
4-propan-2-yl-1,3-oxazole-2-carboxylic acid
CID 46737737
4,6-di(propan-2-yl)-1H-pyrimidin-2-one
CID 59336135
cobalt;2-[3,5-dibromo-6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole
CID 175846092
2-(dimethylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 135973672

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-propan-2-yl-1,3-oxazol-2-yl)-1H-pyridin-4-one?
The IUPAC name of 2,6-bis(4-propan-2-yl-1,3-oxazol-2-yl)-1H-pyridin-4-one (CID 175895153) is 2,6-bis(4-propan-2-yl-1,3-oxazol-2-yl)-1H-pyridin-4-one.
What is the SMILES notation for 2,6-bis(4-propan-2-yl-1,3-oxazol-2-yl)-1H-pyridin-4-one?
The canonical SMILES for 2,6-bis(4-propan-2-yl-1,3-oxazol-2-yl)-1H-pyridin-4-one is CC(C)c1coc(-c2cc(=O)cc(-c3nc(C(C)C)co3)[nH]2)n1.
What is the InChIKey of 2,6-bis(4-propan-2-yl-1,3-oxazol-2-yl)-1H-pyridin-4-one?
The InChIKey is RXBQSTXQJHISIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-9(2)14-7-22-16(19-14)12-5-11(21)6-13(18-12)17-20-15(8-23-17)10(3)4/h5-10H,1-4H3,(H,18,21).
What are the key properties of 2,6-bis(4-propan-2-yl-1,3-oxazol-2-yl)-1H-pyridin-4-one?
2,6-bis(4-propan-2-yl-1,3-oxazol-2-yl)-1H-pyridin-4-one has a molecular weight of 313.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-propan-2-yl-1,3-oxazol-2-yl)-1H-pyridin-4-one is sourced from PubChem (CID 175895153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).