4-[4-[(4R)-4-(5-methoxy-2-pyridinyl)pentoxy]-2-methylpyrimidin-5-yl]-2H-1,2-oxazol-5-one

C19H22N4O4 — CID 144632511

IUPAC4-[4-[(4R)-4-(5-methoxy-2-pyridinyl)pentoxy]-2-methylpyrimidin-5-yl]-2H-1,2-oxazol-5-one
SMILESCOc1ccc([C@H](C)CCCOc2nc(C)ncc2-c2c[nH]oc2=O)nc1
InChIInChI=1S/C19H22N4O4/c1-12(17-7-6-14(25-3)9-21-17)5-4-8-26-18-15(10-20-13(2)23-18)16-11-22-27-19(16)24/h6-7,9-12,22H,4-5,8H2,1-3H3/t12-/m1/s1
InChIKeyUQUPFRQGEZNJCV-GFCCVEGCSA-N
MW370.41 g/mol
LogP3.10
Rot. Bonds8

About 4-[4-[(4R)-4-(5-methoxy-2-pyridinyl)pentoxy]-2-methylpyrimidin-5-yl]-2H-1,2-oxazol-5-one

4-[4-[(4R)-4-(5-methoxy-2-pyridinyl)pentoxy]-2-methylpyrimidin-5-yl]-2H-1,2-oxazol-5-one (PubChem CID 144632511) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[4-[(4R)-4-(5-methoxy-2-pyridinyl)pentoxy]-2-methylpyrimidin-5-yl]-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-[4-[(4R)-4-(5-methoxy-2-pyridinyl)pentoxy]-2-methylpyrimidin-5-yl]-2H-1,2-oxazol-5-one
PubChem CID144632511
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name4-[4-[(4R)-4-(5-methoxy-2-pyridinyl)pentoxy]-2-methylpyrimidin-5-yl]-2H-1,2-oxazol-5-one
SMILESCOc1ccc([C@H](C)CCCOc2nc(C)ncc2-c2c[nH]oc2=O)nc1
InChIInChI=1S/C19H22N4O4/c1-12(17-7-6-14(25-3)9-21-17)5-4-8-26-18-15(10-20-13(2)23-18)16-11-22-27-19(16)24/h6-7,9-12,22H,4-5,8H2,1-3H3/t12-/m1/s1
InChIKeyUQUPFRQGEZNJCV-GFCCVEGCSA-N
XLogP3.10
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenyl)-2H-1,2-oxazol-5-one
CID 13330270
5-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-4-[(2S,3S)-3-(5-methoxy-2-pyridinyl)-2-methylbutoxy]-2-methylpyrimidine
CID 129167325
4-[(2S,3S)-3-(5-methoxy-2-pyridinyl)-2-methylbutoxy]-2-methylpyrimidine-5-carbaldehyde
CID 129167505
4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,2-oxazol-5-one
CID 123602873
[(4R)-4-(5-methoxy-2-pyridinyl)-2-methylpentan-2-yl]-oxosulfanium
CID 174573563
2-(5-methoxy-2-pyridinyl)propanoic acid
CID 82654412
4-[4-[(2S,3S)-3-(5-methoxy-2-pyridinyl)-2-methylbutoxy]-2-methylpyrimidin-5-yl]cyclohexane-1-carboxamide
CID 118475036
3-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1H-pyrazol-5-one
CID 123326964
ethane;5-methoxy-2-methylpyrimidine
CID 143166828
5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole
CID 71488705
(4S)-4-(5-methoxy-2-pyridinyl)-1-[4-(5-methyl-1,2-oxazol-4-yl)phenyl]pentan-2-one
CID 58255197
5-(3-methoxypropoxy)-2-propan-2-ylpyridine
CID 58448811

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4R)-4-(5-methoxy-2-pyridinyl)pentoxy]-2-methylpyrimidin-5-yl]-2H-1,2-oxazol-5-one?
The IUPAC name of 4-[4-[(4R)-4-(5-methoxy-2-pyridinyl)pentoxy]-2-methylpyrimidin-5-yl]-2H-1,2-oxazol-5-one (CID 144632511) is 4-[4-[(4R)-4-(5-methoxy-2-pyridinyl)pentoxy]-2-methylpyrimidin-5-yl]-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-[4-[(4R)-4-(5-methoxy-2-pyridinyl)pentoxy]-2-methylpyrimidin-5-yl]-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-[4-[(4R)-4-(5-methoxy-2-pyridinyl)pentoxy]-2-methylpyrimidin-5-yl]-2H-1,2-oxazol-5-one is COc1ccc([C@H](C)CCCOc2nc(C)ncc2-c2c[nH]oc2=O)nc1.
What is the InChIKey of 4-[4-[(4R)-4-(5-methoxy-2-pyridinyl)pentoxy]-2-methylpyrimidin-5-yl]-2H-1,2-oxazol-5-one?
The InChIKey is UQUPFRQGEZNJCV-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-12(17-7-6-14(25-3)9-21-17)5-4-8-26-18-15(10-20-13(2)23-18)16-11-22-27-19(16)24/h6-7,9-12,22H,4-5,8H2,1-3H3/t12-/m1/s1.
What are the key properties of 4-[4-[(4R)-4-(5-methoxy-2-pyridinyl)pentoxy]-2-methylpyrimidin-5-yl]-2H-1,2-oxazol-5-one?
4-[4-[(4R)-4-(5-methoxy-2-pyridinyl)pentoxy]-2-methylpyrimidin-5-yl]-2H-1,2-oxazol-5-one has a molecular weight of 370.41 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4R)-4-(5-methoxy-2-pyridinyl)pentoxy]-2-methylpyrimidin-5-yl]-2H-1,2-oxazol-5-one is sourced from PubChem (CID 144632511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).