2,4-dimethyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

C21H20N4O2 — CID 121318354

IUPAC2,4-dimethyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC(C)c3ncc(-c4ccccc4)o3)c2n1
InChIInChI=1S/C21H20N4O2/c1-13-11-14(2)25-10-9-17(19(25)23-13)20(26)24-15(3)21-22-12-18(27-21)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H,24,26)
InChIKeyQRWGREHZJFEDFW-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.10
Rot. Bonds4

About 2,4-dimethyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

2,4-dimethyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121318354) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121318354
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2,4-dimethyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCc1cc(C)n2ccc(C(=O)NC(C)c3ncc(-c4ccccc4)o3)c2n1
InChIInChI=1S/C21H20N4O2/c1-13-11-14(2)25-10-9-17(19(25)23-13)20(26)24-15(3)21-22-12-18(27-21)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H,24,26)
InChIKeyQRWGREHZJFEDFW-UHFFFAOYSA-N
XLogP4.10
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121318354) is 2,4-dimethyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is Cc1cc(C)n2ccc(C(=O)NC(C)c3ncc(-c4ccccc4)o3)c2n1.
What is the InChIKey of 2,4-dimethyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is QRWGREHZJFEDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-11-14(2)25-10-9-17(19(25)23-13)20(26)24-15(3)21-22-12-18(27-21)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H,24,26).
What are the key properties of 2,4-dimethyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
2,4-dimethyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121318354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).