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

C20H18N4O3 — CID 121330043

IUPAC2-(methoxymethyl)-4-methyl-N-[4-(1,3-oxazol-4-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCOCc1cc(C)n2ccc(C(=O)Nc3ccc(-c4cocn4)cc3)c2n1
InChIInChI=1S/C20H18N4O3/c1-13-9-16(10-26-2)22-19-17(7-8-24(13)19)20(25)23-15-5-3-14(4-6-15)18-11-27-12-21-18/h3-9,11-12H,10H2,1-2H3,(H,23,25)
InChIKeyQDLMTSRPINAZHL-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.70
Rot. Bonds5

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

2-(methoxymethyl)-4-methyl-N-[4-(1,3-oxazol-4-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 121330043) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methyl-N-[4-(1,3-oxazol-4-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methyl-N-[4-(1,3-oxazol-4-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
PubChem CID121330043
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name2-(methoxymethyl)-4-methyl-N-[4-(1,3-oxazol-4-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
SMILESCOCc1cc(C)n2ccc(C(=O)Nc3ccc(-c4cocn4)cc3)c2n1
InChIInChI=1S/C20H18N4O3/c1-13-9-16(10-26-2)22-19-17(7-8-24(13)19)20(25)23-15-5-3-14(4-6-15)18-11-27-12-21-18/h3-9,11-12H,10H2,1-2H3,(H,23,25)
InChIKeyQDLMTSRPINAZHL-UHFFFAOYSA-N
XLogP3.70
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methyl-N-[4-(1,3-oxazol-4-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The IUPAC name of 2-(methoxymethyl)-4-methyl-N-[4-(1,3-oxazol-4-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 121330043) is 2-(methoxymethyl)-4-methyl-N-[4-(1,3-oxazol-4-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-4-methyl-N-[4-(1,3-oxazol-4-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-4-methyl-N-[4-(1,3-oxazol-4-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is COCc1cc(C)n2ccc(C(=O)Nc3ccc(-c4cocn4)cc3)c2n1.
What is the InChIKey of 2-(methoxymethyl)-4-methyl-N-[4-(1,3-oxazol-4-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
The InChIKey is QDLMTSRPINAZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-13-9-16(10-26-2)22-19-17(7-8-24(13)19)20(25)23-15-5-3-14(4-6-15)18-11-27-12-21-18/h3-9,11-12H,10H2,1-2H3,(H,23,25).
What are the key properties of 2-(methoxymethyl)-4-methyl-N-[4-(1,3-oxazol-4-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?
2-(methoxymethyl)-4-methyl-N-[4-(1,3-oxazol-4-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methyl-N-[4-(1,3-oxazol-4-yl)phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 121330043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).