1-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

C17H23N5O2 — CID 110103840

IUPAC1-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESCc1nccc(C2CCCN2C(=O)CCc2nnc(C(C)C)o2)n1
InChIInChI=1S/C17H23N5O2/c1-11(2)17-21-20-15(24-17)6-7-16(23)22-10-4-5-14(22)13-8-9-18-12(3)19-13/h8-9,11,14H,4-7,10H2,1-3H3
InChIKeyIPSBLPCONIOQIW-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.59
Rot. Bonds5

About 1-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

1-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 110103840) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
PubChem CID110103840
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
SMILESCc1nccc(C2CCCN2C(=O)CCc2nnc(C(C)C)o2)n1
InChIInChI=1S/C17H23N5O2/c1-11(2)17-21-20-15(24-17)6-7-16(23)22-10-4-5-14(22)13-8-9-18-12(3)19-13/h8-9,11,14H,4-7,10H2,1-3H3
InChIKeyIPSBLPCONIOQIW-UHFFFAOYSA-N
XLogP2.59
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 136511978
1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 127246757
1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 124988135
1-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110262759
3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110252269
1-[(2S)-2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 95832856
1-[2-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110262904
1-[2-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110262901
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one
CID 51092104
3-(benzimidazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]propan-1-one
CID 124957910
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 127246678
3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124609264

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
The IUPAC name of 1-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 110103840) is 1-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
The canonical SMILES for 1-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is Cc1nccc(C2CCCN2C(=O)CCc2nnc(C(C)C)o2)n1.
What is the InChIKey of 1-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
The InChIKey is IPSBLPCONIOQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11(2)17-21-20-15(24-17)6-7-16(23)22-10-4-5-14(22)13-8-9-18-12(3)19-13/h8-9,11,14H,4-7,10H2,1-3H3.
What are the key properties of 1-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?
1-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 329.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 110103840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).