3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one

C19H23N5O3 — CID 92555819

IUPAC3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one
SMILESCOc1cc(CCC(=O)N2CCCC[C@@H]2c2ccnc3cc(C)nn23)on1
InChIInChI=1S/C19H23N5O3/c1-13-11-17-20-9-8-16(24(17)21-13)15-5-3-4-10-23(15)19(25)7-6-14-12-18(26-2)22-27-14/h8-9,11-12,15H,3-7,10H2,1-2H3/t15-/m1/s1
InChIKeyPOGHRNCRFZPVSW-OAHLLOKOSA-N
MW369.43 g/mol
LogP2.72
Rot. Bonds5

About 3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one

3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one (PubChem CID 92555819) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one
PubChem CID92555819
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one
SMILESCOc1cc(CCC(=O)N2CCCC[C@@H]2c2ccnc3cc(C)nn23)on1
InChIInChI=1S/C19H23N5O3/c1-13-11-17-20-9-8-16(24(17)21-13)15-5-3-4-10-23(15)19(25)7-6-14-12-18(26-2)22-27-14/h8-9,11-12,15H,3-7,10H2,1-2H3/t15-/m1/s1
InChIKeyPOGHRNCRFZPVSW-OAHLLOKOSA-N
XLogP2.72
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 92555828
2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 92555831
3-(3-methoxy-1,2-oxazol-5-yl)-1-[2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidin-1-yl]propan-1-one
CID 110103668
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 125023544
1-[(2S)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 124943361
1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 124962035
1-[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 110219169
1-[(2S)-2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one
CID 92585275
1-[2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 110218887
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 124942379
1-[(5aS,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydropyrido[4,3-b]azepin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 110158709
2-[(2R)-1-[3-(3-methoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 135963347

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one (CID 92555819) is 3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one is COc1cc(CCC(=O)N2CCCC[C@@H]2c2ccnc3cc(C)nn23)on1.
What is the InChIKey of 3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one?
The InChIKey is POGHRNCRFZPVSW-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-13-11-17-20-9-8-16(24(17)21-13)15-5-3-4-10-23(15)19(25)7-6-14-12-18(26-2)22-27-14/h8-9,11-12,15H,3-7,10H2,1-2H3/t15-/m1/s1.
What are the key properties of 3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one?
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one has a molecular weight of 369.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92555819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).