4-methyl-N-[4-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

C18H14N4O2 — CID 121330069

IUPAC4-methyl-N-[4-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1ccnc2c(C(=O)Nc3ccc(-c4ncco4)cc3)ccn12
InChIInChI=1S/C18H14N4O2/c1-12-6-8-19-16-15(7-10-22(12)16)17(23)21-14-4-2-13(3-5-14)18-20-9-11-24-18/h2-11H,1H3,(H,21,23)
InChIKeyMCQLHLMYMCJMDZ-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.55
Rot. Bonds3

About 4-methyl-N-[4-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

4-methyl-N-[4-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121330069) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 4-methyl-N-[4-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121330069
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name4-methyl-N-[4-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1ccnc2c(C(=O)Nc3ccc(-c4ncco4)cc3)ccn12
InChIInChI=1S/C18H14N4O2/c1-12-6-8-19-16-15(7-10-22(12)16)17(23)21-14-4-2-13(3-5-14)18-20-9-11-24-18/h2-11H,1H3,(H,21,23)
InChIKeyMCQLHLMYMCJMDZ-UHFFFAOYSA-N
XLogP3.55
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of 4-methyl-N-[4-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121330069) is 4-methyl-N-[4-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for 4-methyl-N-[4-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1ccnc2c(C(=O)Nc3ccc(-c4ncco4)cc3)ccn12.
What is the InChIKey of 4-methyl-N-[4-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is MCQLHLMYMCJMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-12-6-8-19-16-15(7-10-22(12)16)17(23)21-14-4-2-13(3-5-14)18-20-9-11-24-18/h2-11H,1H3,(H,21,23).
What are the key properties of 4-methyl-N-[4-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
4-methyl-N-[4-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(1,3-oxazol-2-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121330069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).