5-[3-oxo-3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]propyl]-1,2-oxazol-3-one

C19H25N5O3 — CID 56883130

IUPAC5-[3-oxo-3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]propyl]-1,2-oxazol-3-one
SMILESO=C(CCc1cc(=O)[nH]o1)N1CCC(c2cc(N3CCCC3)ncn2)CC1
InChIInChI=1S/C19H25N5O3/c25-18-11-15(27-22-18)3-4-19(26)24-9-5-14(6-10-24)16-12-17(21-13-20-16)23-7-1-2-8-23/h11-14H,1-10H2,(H,22,25)
InChIKeyYGJPIGJDHIMLEG-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.70
Rot. Bonds5

About 5-[3-oxo-3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]propyl]-1,2-oxazol-3-one

5-[3-oxo-3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]propyl]-1,2-oxazol-3-one (PubChem CID 56883130) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-[3-oxo-3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]propyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[3-oxo-3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]propyl]-1,2-oxazol-3-one
PubChem CID56883130
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name5-[3-oxo-3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]propyl]-1,2-oxazol-3-one
SMILESO=C(CCc1cc(=O)[nH]o1)N1CCC(c2cc(N3CCCC3)ncn2)CC1
InChIInChI=1S/C19H25N5O3/c25-18-11-15(27-22-18)3-4-19(26)24-9-5-14(6-10-24)16-12-17(21-13-20-16)23-7-1-2-8-23/h11-14H,1-10H2,(H,22,25)
InChIKeyYGJPIGJDHIMLEG-UHFFFAOYSA-N
XLogP1.70
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-oxo-3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]propyl]-1,2-oxazol-3-one with MolForge

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Related Compounds

5-[3-oxo-3-(4-pyrrolidin-1-yl-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepin-7-yl)propyl]isoxazol-3-ol
CID 56903324
N-[rel-(3R,4S)-1-(6-cyclopropyl-4-pyrimidinyl)-4-isopropyl-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 72860570
1-[1-(6-Cyclopropylpyrimidin-4-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899779
1-[1-(6-Cyclobutylpyrimidin-4-yl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899780
N-{[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl}oxolane-3-carboxamide
CID 166600684
2-[4-(6-Piperidin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 45221374
5-[3-(2-methyl-4-pyrrolidin-1-yl-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl)-3-oxopropyl]isoxazol-3-ol
CID 56871629
[(3S,4R)-3-cyclopropyl-4-[(6-cyclopropylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 72841345
1-[3-[[6-(Methylamino)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 73440509
1-(2-{1-[6-(cis-3-Aminocyclobutyl)-4-pyrimidinyl]-4-piperidinyl}ethyl)-2-pyrrolidinone dihydrochloride
CID 91765187
(cis-3-{6-[4-(Pyrrolidin-1-ylcarbonyl)piperidin-1-yl]pyrimidin-4-yl}cyclobutyl)amine
CID 91775146
1-[(3S,4S)-4-amino-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one
CID 57559173

Frequently Asked Questions

What is the IUPAC name of 5-[3-oxo-3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]propyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[3-oxo-3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]propyl]-1,2-oxazol-3-one (CID 56883130) is 5-[3-oxo-3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]propyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[3-oxo-3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]propyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[3-oxo-3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]propyl]-1,2-oxazol-3-one is O=C(CCc1cc(=O)[nH]o1)N1CCC(c2cc(N3CCCC3)ncn2)CC1.
What is the InChIKey of 5-[3-oxo-3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]propyl]-1,2-oxazol-3-one?
The InChIKey is YGJPIGJDHIMLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c25-18-11-15(27-22-18)3-4-19(26)24-9-5-14(6-10-24)16-12-17(21-13-20-16)23-7-1-2-8-23/h11-14H,1-10H2,(H,22,25).
What are the key properties of 5-[3-oxo-3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]propyl]-1,2-oxazol-3-one?
5-[3-oxo-3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]propyl]-1,2-oxazol-3-one has a molecular weight of 371.44 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-oxo-3-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]propyl]-1,2-oxazol-3-one is sourced from PubChem (CID 56883130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).