6-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H15N5O4 — CID 119075096

IUPAC6-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)N(Cc3cocn3)Cc3cocn3)c(=O)n12
InChIInChI=1S/C18H15N5O4/c1-12-3-2-4-16-19-5-15(18(25)23(12)16)17(24)22(6-13-8-26-10-20-13)7-14-9-27-11-21-14/h2-5,8-11H,6-7H2,1H3
InChIKeyXTGABROORPBNSF-UHFFFAOYSA-N
MW365.35 g/mol
LogP1.82
Rot. Bonds5

About 6-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

6-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 119075096) has the molecular formula C18H15N5O4 and a molecular weight of 365.35 g/mol. Its IUPAC name is 6-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID119075096
Molecular FormulaC18H15N5O4
Molecular Weight365.35 g/mol
Exact Mass365.11
IUPAC Name6-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)N(Cc3cocn3)Cc3cocn3)c(=O)n12
InChIInChI=1S/C18H15N5O4/c1-12-3-2-4-16-19-5-15(18(25)23(12)16)17(24)22(6-13-8-26-10-20-13)7-14-9-27-11-21-14/h2-5,8-11H,6-7H2,1H3
InChIKeyXTGABROORPBNSF-UHFFFAOYSA-N
XLogP1.82
TPSA106.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 119075096) is 6-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccc2ncc(C(=O)N(Cc3cocn3)Cc3cocn3)c(=O)n12.
What is the InChIKey of 6-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is XTGABROORPBNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O4/c1-12-3-2-4-16-19-5-15(18(25)23(12)16)17(24)22(6-13-8-26-10-20-13)7-14-9-27-11-21-14/h2-5,8-11H,6-7H2,1H3.
What are the key properties of 6-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
6-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 365.35 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N,N-bis(1,3-oxazol-4-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 119075096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).