1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one

C18H25N5O2 — CID 127247042

IUPAC1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCCC1c1cncc(N(C)C)n1
InChIInChI=1S/C18H25N5O2/c1-12-14(13(2)25-21-12)7-8-18(24)23-9-5-6-16(23)15-10-19-11-17(20-15)22(3)4/h10-11,16H,5-9H2,1-4H3
InChIKeyMBHOIZKKIFQCNS-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.44
Rot. Bonds5

About 1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one

1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one (PubChem CID 127247042) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
PubChem CID127247042
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCCC1c1cncc(N(C)C)n1
InChIInChI=1S/C18H25N5O2/c1-12-14(13(2)25-21-12)7-8-18(24)23-9-5-6-16(23)15-10-19-11-17(20-15)22(3)4/h10-11,16H,5-9H2,1-4H3
InChIKeyMBHOIZKKIFQCNS-UHFFFAOYSA-N
XLogP2.44
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 110105894
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylpyrrolidin-1-yl]propan-1-one
CID 94578579
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 75459962
1-[(2S)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124996891
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124953230
1-[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 92554504
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propan-1-one
CID 124835282
2-amino-1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110129418
N-[[6-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110094921
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-phenylazepan-1-yl]propan-1-one
CID 97313178
1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 127247057
2-(benzotriazol-2-yl)-1-[(2R)-2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124982957

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one?
The IUPAC name of 1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one (CID 127247042) is 1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one?
The canonical SMILES for 1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one is Cc1noc(C)c1CCC(=O)N1CCCC1c1cncc(N(C)C)n1.
What is the InChIKey of 1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one?
The InChIKey is MBHOIZKKIFQCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-14(13(2)25-21-12)7-8-18(24)23-9-5-6-16(23)15-10-19-11-17(20-15)22(3)4/h10-11,16H,5-9H2,1-4H3.
What are the key properties of 1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one?
1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one has a molecular weight of 343.43 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one is sourced from PubChem (CID 127247042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).