5-methyl-N-[(4-oxo-9-propyl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]-1,2-oxazole-4-carboxamide

C17H23N5O3 — CID 97467812

IUPAC5-methyl-N-[(4-oxo-9-propyl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCCCN1CCCn2c(nc(CNC(=O)c3cnoc3C)cc2=O)C1
InChIInChI=1S/C17H23N5O3/c1-3-5-21-6-4-7-22-15(11-21)20-13(8-16(22)23)9-18-17(24)14-10-19-25-12(14)2/h8,10H,3-7,9,11H2,1-2H3,(H,18,24)
InChIKeyJLOYUHISLGIHCM-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.09
Rot. Bonds5

About 5-methyl-N-[(4-oxo-9-propyl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[(4-oxo-9-propyl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 97467812) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-methyl-N-[(4-oxo-9-propyl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(4-oxo-9-propyl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID97467812
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name5-methyl-N-[(4-oxo-9-propyl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCCCN1CCCn2c(nc(CNC(=O)c3cnoc3C)cc2=O)C1
InChIInChI=1S/C17H23N5O3/c1-3-5-21-6-4-7-22-15(11-21)20-13(8-16(22)23)9-18-17(24)14-10-19-25-12(14)2/h8,10H,3-7,9,11H2,1-2H3,(H,18,24)
InChIKeyJLOYUHISLGIHCM-UHFFFAOYSA-N
XLogP1.09
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-oxo-9-propyl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(4-oxo-9-propyl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]-1,2-oxazole-4-carboxamide (CID 97467812) is 5-methyl-N-[(4-oxo-9-propyl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(4-oxo-9-propyl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(4-oxo-9-propyl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]-1,2-oxazole-4-carboxamide is CCCN1CCCn2c(nc(CNC(=O)c3cnoc3C)cc2=O)C1.
What is the InChIKey of 5-methyl-N-[(4-oxo-9-propyl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is JLOYUHISLGIHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-3-5-21-6-4-7-22-15(11-21)20-13(8-16(22)23)9-18-17(24)14-10-19-25-12(14)2/h8,10H,3-7,9,11H2,1-2H3,(H,18,24).
What are the key properties of 5-methyl-N-[(4-oxo-9-propyl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[(4-oxo-9-propyl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-oxo-9-propyl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 97467812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).