1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one

C19H25N5O2 — CID 53192950

IUPAC1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C19H25N5O2/c1-13-15(14(2)26-22-13)6-7-18(25)23-8-10-24(11-9-23)19-16-4-3-5-17(16)20-12-21-19/h12H,3-11H2,1-2H3
InChIKeyQBUZPLPAMNKQFF-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.85
Rot. Bonds4

About 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one

1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one (PubChem CID 53192950) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
PubChem CID53192950
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C19H25N5O2/c1-13-15(14(2)26-22-13)6-7-18(25)23-8-10-24(11-9-23)19-16-4-3-5-17(16)20-12-21-19/h12H,3-11H2,1-2H3
InChIKeyQBUZPLPAMNKQFF-UHFFFAOYSA-N
XLogP1.85
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one?
The IUPAC name of 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one (CID 53192950) is 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one?
The canonical SMILES for 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one is Cc1noc(C)c1CCC(=O)N1CCN(c2ncnc3c2CCC3)CC1.
What is the InChIKey of 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one?
The InChIKey is QBUZPLPAMNKQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-15(14(2)26-22-13)6-7-18(25)23-8-10-24(11-9-23)19-16-4-3-5-17(16)20-12-21-19/h12H,3-11H2,1-2H3.
What are the key properties of 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one?
1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one has a molecular weight of 355.44 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one is sourced from PubChem (CID 53192950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).